SCHEMBL8330380

SCHEMBL8330380

Cc1nc2c(Cl)cc(F)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 6/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HK1 P19367 1/20 0.33

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
SCHEMBL8331402 0.81 ALDH1A1 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2615996 0.81 RAB9A (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10272524 0.81 HSD17B10 (0.43) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL16126077 0.81 GAA (0.44) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8334374 0.81 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8311475 0.79 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL24603481 0.78 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL21098344 0.78 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL19627256 0.78 RAB9A (0.39) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8309525 0.78 ALDH1A1 (0.68) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5888940-A DESICCATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-30 US disclosed
CN-1194645-A Substituted benzothiazols with herbicidal action BASF AG (DE) 1998-09-30 CN disclosed
EP-0862569-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997008171-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed