SCHEMBL7170273

SCHEMBL7170273

O=C(Nc1ccccc1)C(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.70
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
MAPK11 Q15759 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6175810 0.85 MAPK14 (0.71) MAPK14NPC1RAB9AKDM4EMAPT
SCHEMBL7141123 0.85 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL27565066 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5259065 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7141128 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6178434 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11LMNA
SCHEMBL6177800 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6076504 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6180300 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11RAB9A
SCHEMBL6177632 0.81 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11

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
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed