SCHEMBL7989653

SCHEMBL7989653

O=C(O)c1nc(-c2ccccc2Cl)[nH]c1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.55
RAF1 P04049 7/20 0.55
MAPK13 O15264 7/20 0.55
MAPK12 P53778 7/20 0.55
MAPK11 Q15759 7/20 0.55
TEK Q02763 1/20 0.50
PTGES O14684 1/20 0.47
BRAF P15056 1/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
IDO1 P14902 2/20 0.44
PARP1 P09874 1/20 0.44
GUSB P08236 1/20 0.44
MAPK9 P45984 1/20 0.43
GCGR P47871 1/20 0.43
ALOX5 P09917 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
SCHEMBL7992089 0.83 MAPK14 (0.62) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL7995032 0.83 MAPK14 (0.58) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL7988468 0.82 TEK (0.49) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL7989925 0.80 MAPK14 (0.62) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6468974 0.80 MAPK14 (0.80) MAPK14RAF1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL7989219 0.77 RAB9A (0.50) KDM4EPOLBNPC1ALDH1A1RAB9A
SCHEMBL3917722 0.76 PIN1 (0.65) KDM4ENPC1ALDH1A1RAB9AGPR55
SCHEMBL29093221 0.75 PIN1 (0.69) KDM4EPOLBALDH1A1
SCHEMBL5198574 0.75 MAPK14 (0.73) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL7989339 0.74 MAPK14 (0.46) MAPK14RAF1MAPK13MAPK12MAPK11

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed