SCHEMBL28081097

SCHEMBL28081097

Cc1cc(C)cc(Cc2ccc([N+](=O)[O-])c(N)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 4/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 2/20 0.39
GPR35 Q9HC97 1/20 0.37
LMNA P02545 2/20 0.36
GALR2 O43603 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35

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
SCHEMBL25826451 0.81 MEN1 (0.38) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL111594 0.77 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL29868909 0.77 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL28073294 0.76 ALDH1A1 (0.39) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL14400887 0.73 TDP1 (0.39) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL4546456 0.73 ALDH1A1 (0.40) TSHRCYP3A4ALDH1A1RECQLTDP1
SCHEMBL27987226 0.73 POLB (0.46) ALDH1A1RECQLLMNAPOLBL3MBTL1
SCHEMBL27465806 0.72 ALDH1A1 (0.39) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL801582 0.71 CTSB (0.51) TSHRCYP3A4ALDH1A1RECQLTDP1
Hydrochloric Acid SCHEMBL27537939 0.70 CTSB (0.50) TSHRCYP3A4ALDH1A1RECQLTDP1

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
CN-105814046-B Imidazopyridine derivatives as TNF active regulators UCB生物制药私人有限公司 2018-01-30 CN disclosed
CN-105814046-A Imidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed