SCHEMBL6984031

SCHEMBL6984031

Cc1ccc2nc(C(=O)CC(=O)C(F)F)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.50
DYRK1A Q13627 1/20 0.50
MAOB P27338 3/20 0.47
RAB9A P51151 10/20 0.47
NPC1 O15118 9/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 3/20 0.47
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
STAT1 P42224 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL6979336 0.85 PDPK1 (0.50) ACP1DYRK1AMAOBSMN1; SMN2LMNA
SCHEMBL6983145 0.84 DYRK1A (0.49) ACP1DYRK1AMAOBRAB9ANPC1
SCHEMBL6981089 0.83 MAPT (0.56) DYRK1AMAOBRAB9ANPC1SMN1; SMN2
SCHEMBL6975865 0.83 TP53 (0.51) ACP1DYRK1AMAOBRAB9ANPC1
SCHEMBL6975976 0.81 ACP1 (0.47) ACP1DYRK1AMAOBRAB9ANPC1
SCHEMBL6978201 0.80 RAB9A (0.60) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL2210476 0.76 DYRK1A (0.56) ACP1DYRK1AMAOBRAB9ANPC1
SCHEMBL6980043 0.76 DYRK1A (0.60) ACP1DYRK1AMAOBRAB9ANPC1
SCHEMBL11224458 0.75 DYRK1A (0.55) ACP1DYRK1AMAOBRAB9ANPC1
SCHEMBL3093869 0.75 RAB9A (0.57) ACP1DYRK1AMAOBRAB9ANPC1

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