SCHEMBL7823940

SCHEMBL7823940

O=C(O)CSCc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
CHRM1 P11229 1/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
LMNA P02545 4/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 1/20 0.56
THRB P10828 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTT P42858 3/20 0.55
HSD17B10 Q99714 2/20 0.55

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
SCHEMBL3079520 0.84 SMN1; SMN2 (0.83) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL761148 0.79 CHRM1 (0.71) SMN1; SMN2NPC1RAB9ACHRM1MAPT
SCHEMBL3065316 0.77 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
Procodazole SCHEMBL349966 0.76 CHRM1 (1.00) NPC1RAB9ACHRM1MAPTALDH1A1
Procodazole SCHEMBL29404024 0.76 CHRM1 (1.00) NPC1RAB9ACHRM1MAPTALDH1A1
Procodazole SCHEMBL838841 0.76 CHRM1 (1.00) NPC1RAB9ACHRM1MAPTALDH1A1
SCHEMBL9866161 0.76 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
Water SCHEMBL10769741 0.76 CHRM1 (0.55) SMN1; SMN2NPC1RAB9ACHRM1MAPT
SCHEMBL3506863 0.76 MAPT (1.00) SMN1; SMN2MAPTALDH1A1LMNAKMT2A
Bromide SCHEMBL11317742 0.75 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0218753-A1 Image-recieving element for the silver salt diffusion transfer reversal process AGFA-GEVAERT N.V. (BE) 1987-04-22 EP disclosed