SCHEMBL4784907

SCHEMBL4784907

COC(=O)c1ccc(-c2c[nH]c(-c3c(F)cccc3Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.46
PTGES O14684 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK14 Q16539 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAP2K4 P45985 1/20 0.38
TNKS O95271 1/20 0.38
SGK1 O00141 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38

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
SCHEMBL4783219 0.86 TTR (0.55) PTGESKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3797090 0.84 RHEB (0.41) RHEBPTGESALDH1A1KDM4EMAPK14
SCHEMBL4799427 0.81 IDO1 (0.47) RHEBPTGESALDH1A1KDM4ENPC1
SCHEMBL3790901 0.81 PTGES (0.39) RHEBPTGESALDH1A1MAPK14NPC1
SCHEMBL3798547 0.81 PTGES (0.39) RHEBPTGESALDH1A1MAPK14NPC1
SCHEMBL29662800 0.81 PTGES (0.43) PTGESMAPK14
SCHEMBL4786450 0.79 HDAC1 (0.46) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL4785278 0.78 PTGES (0.52) RHEBPTGESALDH1A1KDM4EMAPK14
SCHEMBL4786153 0.77 EIF4E (0.50) PTGESTTRRORC
SCHEMBL3795491 0.77 PTGES (0.43) PTGESTTR

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
WO-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed