SCHEMBL9053221

SCHEMBL9053221

NC(Cl)(Cl)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
ALDH1A1 P00352 2/20 0.52
IDO1 P14902 4/20 0.52
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10597552 0.84 LOXL2 (0.55) LOXL2ALDH1A1IDO1TSHRKDM4E
SCHEMBL776520 0.81 LOXL2 (0.57) LOXL2ALDH1A1IDO1TSHRKDM4E
SCHEMBL29299421 0.78 LOXL2 (0.48) LOXL2ALDH1A1IDO1TSHRKDM4E
SCHEMBL17341729 0.77 LOXL2 (0.52) LOXL2ALDH1A1IDO1TSHRCYP2C19
SCHEMBL11293734 0.77 LOXL2 (0.52) LOXL2ALDH1A1IDO1TSHRCYP2C19
SCHEMBL9474702 0.76 LOXL2 (0.55) LOXL2ALDH1A1IDO1TSHRCYP2C19
SCHEMBL75530 0.76 LOXL2 (0.55) LOXL2ALDH1A1IDO1TSHRCYP2C19
SCHEMBL9307922 0.74 LOXL2 (0.58) LOXL2ALDH1A1IDO1TSHRCYP2C19
Phentermine SCHEMBL5708330 0.74 SLC6A2 (0.61) LOXL2ALDH1A1IDO1KDM4ECYP2C19
Sulfuric Acid SCHEMBL2003766 0.74 LOXL2 (0.49) LOXL2ALDH1A1IDO1TSHRCYP2C19

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
JP-8134035-A None JP disclosed
JP-H08134035-A BETA-PHENYLETHYLAMINE DERIVATIVE, ANTIMICROBIAL AGENT AND ANTIFOULING AGENT CONTAINING THE SAME DERIVATIVE AS ACTIVE INGREDIENT AND EVALUATION OF ACTIVITY IN FORMATION OF BIOLOGICAL FILM SAGAMI CHEM RES CENTER 1996-05-28 JP disclosed