SCHEMBL8697403

SCHEMBL8697403

O=C(OCc1ccc([N+](=O)[O-])cc1)N1CC(S)CC1C(S)CCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTR2A P28223 1/20 0.39
RAB9A P51151 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
NPC1 O15118 1/20 0.38
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
MAOB P27338 1/20 0.37
TSHR P16473 1/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL9390729 0.85 HTR2A (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8697407 0.85 HTR2A (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8691060 0.84 ALDH1A1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8922365 0.84 ALDH1A1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10390103 0.83 TDP1 (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL10701426 0.82 RAB9A (0.40) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8691023 0.82 HTR2A (0.37) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8923751 0.82 HTR2A (0.37) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL6398540 0.82 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8759638 0.82 TDP1 (0.43) TDP1ATMALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US disclosed