SCHEMBL6981786

SCHEMBL6981786

O=C(CC(=O)C(F)(F)F)c1nc2cc(F)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.49
PLOD2 O00469 3/20 0.48
MAOB P27338 3/20 0.40
PLOD3 O60568 2/20 0.40
PLOD1 Q02809 2/20 0.40
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 2/20 0.39
AKR1A1 P14550 1/20 0.39
LMNA P02545 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
POLB P06746 1/20 0.38
PDPK1 O15530 1/20 0.37

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
SCHEMBL6982879 0.89 PDPK1 (0.49) DYRK1APLOD2MAOBNPC1RAB9A
SCHEMBL6979211 0.82 RAB9A (0.58) MAOBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6969298 0.79 STING1 (0.39) PLOD2MAOBPLOD3PLOD1
SCHEMBL6975865 0.77 TP53 (0.51) DYRK1AMAOBNPC1RAB9AHPGD
SCHEMBL6983733 0.77 DYRK1A (0.48) DYRK1AMAOBNPC1RAB9AHPGD
SCHEMBL3642370 0.76 DYRK1A (0.55) DYRK1AMAOBHDAC6HDAC3HDAC1
SCHEMBL6982986 0.75 DYRK1A (0.61) DYRK1AHDAC6HDAC3HDAC1HDAC2
SCHEMBL417526 0.75 DYRK1A (0.54) DYRK1AMAOBHDAC6HDAC3HDAC1
SCHEMBL6979367 0.74 MAPT (0.57) DYRK1AMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL6979685 0.73 GAA (0.47) PLOD2PLOD3PLOD1NPC1RAB9A

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
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