SCHEMBL6979548

SCHEMBL6979548

Cc1csc(-n2nc(-c3nc4cc(F)ccc4s3)cc2C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 7/20 0.42
ILK Q13418 2/20 0.39
DYRK1A Q13627 3/20 0.39
AHR P35869 1/20 0.38
LDHA P00338 2/20 0.38
PTGER1 P34995 2/20 0.37
APP P05067 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6982699 0.93 F2RL3 (0.43) F2RL3ILKLDHAPTGER1APP
SCHEMBL6978359 0.82 F2RL3 (0.39) F2RL3ILKDYRK1AAHRPTGER1
SCHEMBL6979539 0.77 F2RL3 (0.48) F2RL3ILKDYRK1AAHRLDHA
SCHEMBL6976235 0.74 APP (0.44) F2RL3ILKAPPKDM4EALDH1A1
SCHEMBL6982685 0.69 F2RL3 (0.49) F2RL3ILKAPP
SCHEMBL6973119 0.69 P2RY6 (0.40) F2RL3ILKMEN1KMT2A
SCHEMBL10706363 0.66 APP (0.68) ILKDYRK1AAHRAPPKDM4E
SCHEMBL16708103 0.63 F2RL3 (0.75) F2RL3KDM4EMEN1KMT2A
SCHEMBL6976148 0.62 ILK (0.38) F2RL3ILKKDM4EALDH1A1L3MBTL1
SCHEMBL1319670 0.61 SMN1; SMN2 (0.57) ILKDYRK1AAHRALDH1A1POLB

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-1006114-B1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM GRELAN PHARMACEUTICAL CO (JP) 2003-01-22 EP disclosed
US-6136831-A ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS GRELAN PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-1006114-A1 PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM Grelan Pharmaceutical Co., Ltd. (JP) 2000-06-07 EP disclosed