SCHEMBL7009712

SCHEMBL7009712

CCOC(=O)c1cn(-c2cc(OC)c(F)cc2F)c2c(C)c([N+](=O)[O-])c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 1/20 0.39
MITF O75030 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB2 P07550 1/20 0.36
TNF P01375 1/20 0.35
PIM1 P11309 2/20 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
SCHEMBL7009131 0.87 STAT3 (0.53) STAT3ALDH1A1LMNAHTTPOLB
SCHEMBL7011514 0.85 STAT3 (0.47) STAT3ALDH1A1LMNAHTTKDM4E
SCHEMBL7006960 0.83 STAT3 (0.45) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL7005345 0.83 STAT3 (0.47) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL20912638 0.82 STAT3 (0.43) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL7005206 0.82 STAT3 (0.40) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL7011160 0.81 STAT3 (0.38) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL20912596 0.81 STAT3 (0.45) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL7010671 0.80 NPC1 (0.48) STAT3ALDH1A1MAPTLMNAHTT
SCHEMBL7008215 0.79 STAT3 (0.60) STAT3ALDH1A1MAPTLMNAHTT

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-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed