SCHEMBL11234973

SCHEMBL11234973

Cc1coc(SCCCN2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
POLB P06746 2/20 0.64
PKM P14618 1/20 0.64
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
GAA P10253 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.47
KDR P35968 1/20 0.46
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11220152 0.76 TSHR (0.60) TSHRPOLBPKMALDH1A1HPGD
SCHEMBL9212511 0.74 ALDH1A1 (1.00) TSHRPOLBPKMALDH1A1HPGD
SCHEMBL10458108 0.71 CYP1A2 (1.00) TSHRPOLBPKMALDH1A1HPGD
SCHEMBL1856372 0.71 CYP1A2 (0.65) TSHRPOLBPKMCYP1A2CYP2C19
SCHEMBL11535356 0.71 RECQL (0.45) TSHRALDH1A1HPGDGAATDP1
SCHEMBL11315099 0.71 MAPK1 (0.67) TSHRPOLBPKMALDH1A1HPGD
SCHEMBL9212161 0.70 HPGD (0.98) TSHRPOLBPKMALDH1A1HPGD
SCHEMBL8618993 0.70 CYP1A2 (0.77) TSHRPOLBPKMALDH1A1HPGD
SCHEMBL18263348 0.69 CYP1A2 (0.67) TSHRPOLBPKMALDH1A1HPGD
SCHEMBL8621876 0.69 CYP1A2 (0.61) TSHRPOLBPKMALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4317829-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-03-02 US disclosed
US-4307101-A ANTIHISTAMINES AND ANTISECRETORY AGENTS OF THE THIOUREA OR UREA DERIVATIVES 5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-12-22 US disclosed
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 US disclosed
US-4284640-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-08-18 US disclosed
US-4277485-A INHIBITORS OF GASTRIC ACID SECRETION SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-07-07 US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-4124717-A INHIBITORS OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-11-07 US disclosed
US-4080459-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-03-21 US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 US disclosed
US-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 US disclosed
US-4013769-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-22 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed