SCHEMBL9486017

SCHEMBL9486017

Cc1oc2c([N+](=O)[O-])cccc2c1C(=O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.56
EYA3 Q99504 3/20 0.56
HTT P42858 4/20 0.53
LMNA P02545 3/20 0.53
CYP2C9 P11712 1/20 0.49
GPR35 Q9HC97 2/20 0.45
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL7816879 0.90 GPR35 (0.50) CYP2C19EYA3HTTLMNAGPR35
SCHEMBL9486878 0.86 CYP2C19 (0.58) CYP2C19HTTLMNACYP2C9GPR35
SCHEMBL8342857 0.82 GAA (0.50) HTTLMNAGPR35MAPTTDP1
SCHEMBL7816217 0.79 GPR35 (0.47) CYP2C19LMNACYP2C9GPR35MAPT
SCHEMBL8341921 0.78 GPR35 (0.46) CYP2C19LMNACYP2C9GPR35MAPT
SCHEMBL7828666 0.78 ALDH1A1 (0.47) HTTLMNAGPR35MAPTTDP1
SCHEMBL7817267 0.78 GPR35 (0.46) CYP2C19HTTLMNACYP2C9GPR35
SCHEMBL7826452 0.76 GPR35 (0.44) CYP2C19HTTCYP2C9GPR35MAPT
SCHEMBL7826454 0.76 GPR35 (0.44) CYP2C19HTTCYP2C9GPR35MAPT
SCHEMBL9486051 0.76 APP (0.46) PGRHTR1AADORA3SLC6A2ADRA1A

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-5223510-A ALKYLAMINOALKYL DERIVATIVES OF BENZOFURAN, BENZOTHIOPHENE, INDOLE AND INDOLIZINE, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SANOFI (FR) 1993-06-29 US disclosed