SCHEMBL6984279

SCHEMBL6984279

O=C(Cl)c1snc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 6/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 6/20 0.34
GLA P06280 3/20 0.34
GAA P10253 2/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
ALOX15 P16050 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL3984394 0.82 SMN1; SMN2 (0.42) AKR1B1ALDH1A1KDM4ESMN1; SMN2GLA
SCHEMBL18702830 0.81 HSD17B10 (0.41) AKR1B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4603472 0.81 LIMK1 (0.44) AKR1B1HSD17B10ATMKMT2AMAPT
Hydrochloric Acid SCHEMBL4603416 0.79 LIMK1 (0.43) AKR1B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8347082 0.77 ALDH1A1 (0.35) AKR1B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6981420 0.74 LMNA (0.51) ALDH1A1HPGDHTTSMN1; SMN2MEN1
SCHEMBL11877290 0.69 GPR3 (0.40) AKR1B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11085745 0.69 MAOA (0.44) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL6985066 0.67 AKR1B1 (0.59) AKR1B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3805823 0.66 GPR3 (0.42) AKR1B1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed