SCHEMBL11324632

SCHEMBL11324632

CNC(=S)NCCSCc1nc(C)c(C)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 8/20 0.33
▸ ALOX12 P18054 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ACHE P22303 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ HTT P42858 3/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL11323779 0.86 SMN1; SMN2 (0.34) SMN1; SMN2MAPTALOX12LMNAALDH1A1
SCHEMBL11324803 0.85 SMN1; SMN2 (0.33) SMN1; SMN2MAPTALOX12LMNAALDH1A1
SCHEMBL10425817 0.79 SMN1; SMN2 (0.33) SMN1; SMN2MAPTALOX12LMNAALDH1A1
SCHEMBL11310998 0.77 OPRM1 (0.36) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL11326434 0.77 ACHE (0.39) SMN1; SMN2MAPTALOX12LMNAALDH1A1
SCHEMBL11103663 0.75 GLS (0.41) SMN1; SMN2LMNAALDH1A1HPGDNPSR1
SCHEMBL11314873 0.75 MAPT (0.35) SMN1; SMN2MAPTALOX12LMNAALDH1A1
SCHEMBL11315853 0.73 SMN1; SMN2 (0.36) SMN1; SMN2MAPTALOX12LMNAALDH1A1
SCHEMBL11100615 0.72 MAPT (0.37) SMN1; SMN2MAPTALOX12LMNAALDH1A1
SCHEMBL11377452 0.72 CYP3A4 (0.55) SMN1; SMN2MAPTLMNAACHEQPCT

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 8 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-4018931-A INHIBITION OF H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-04-19 — — US disclosed
US-3950353-A HISTAMINE INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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