SCHEMBL11323918

SCHEMBL11323918

O=C(NC(=S)NCCSCc1ccon1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
ALOX12 P18054 5/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MITF O75030 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL10999537 0.84 MAPT (0.38) ALDH1A1ALOX12RAB9ALMNASMN1; SMN2
SCHEMBL11317519 0.83 ALDH1A1 (0.50) ALDH1A1ALOX12RAB9ALMNASMN1; SMN2
SCHEMBL11323934 0.81 ALDH1A1 (0.51) ALDH1A1ALOX12RAB9ALMNASMN1; SMN2
SCHEMBL11322241 0.81 RAB9A (0.56) ALDH1A1ALOX12RAB9ALMNASMN1; SMN2
SCHEMBL10862915 0.80 MAPT (0.36) ALDH1A1ALOX12LMNASMN1; SMN2HPGD
SCHEMBL11329904 0.80 RAB9A (0.60) ALDH1A1ALOX12RAB9ALMNASMN1; SMN2
SCHEMBL11310931 0.80 ALDH1A1 (0.58) ALDH1A1ALOX12RAB9ALMNASMN1; SMN2
SCHEMBL10852410 0.80 RAB9A (0.52) ALDH1A1ALOX12RAB9ALMNASMN1; SMN2
SCHEMBL11102412 0.79 SMN1; SMN2 (0.38) ALDH1A1ALOX12LMNASMN1; SMN2KDM4E
SCHEMBL11085100 0.79 LMNA (0.38) ALDH1A1ALOX12LMNASMN1; SMN2HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4293697-A ANTIHISTAMINES SMITH, KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 US disclosed
US-4230865-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-28 US disclosed
US-4226874-A ANTIHISTAMINES, ANTISECRETORY AGENTS, GASTRIC JUICE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
US-4151288-A ANTHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-04-24 US disclosed
US-4137234-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 US disclosed