SCHEMBL7103432

SCHEMBL7103432

O=[N+]([O-])c1ccc(CC(O)Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
IDO1 P14902 4/20 0.47
AKR1C3 P42330 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MARS2 Q96GW9 1/20 0.44

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
SCHEMBL10866449 0.84 LMNA (0.55) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL1023274 0.84 TSHR (0.57) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL16390246 0.81 TSHR (0.53) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL1625876 0.81 MEN1 (0.56) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL1625885 0.81 MEN1 (0.56) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL10785716 0.81 TSHR (0.53) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL2325845 0.81 LMNA (0.53) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL1625595 0.81 MEN1 (0.56) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL11369488 0.81 LOXL2 (0.57) LMNATSHRLOXL2ALDH1A1CYP2C19
SCHEMBL16008875 0.81 TSHR (0.53) LMNATSHRLOXL2ALDH1A1CYP2C19

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-1043308-B1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2003-09-24 EP disclosed
US-6353025-B1 COMPOUNDS AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
EP-1043308-A1 PHENYLAMINOALKYLCARBOXYLIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-10-11 EP disclosed