SCHEMBL9778037

SCHEMBL9778037

O=C(O)COc1ccc(C(=O)CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PTPN7 P35236 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTPN12 Q05209 1/20 0.45
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL9777992 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL940303 0.79 MEN1 (0.52) SMN1; SMN2ALOX15MAPTALDH1A1MEN1
SCHEMBL23410286 0.78 PLOD2 (0.61) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL9777993 0.78 NPC1 (0.46) NR1H4SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL2009205 0.77 SMN1; SMN2 (0.51) EPHX2NR1H4SMN1; SMN2ALOX15MAPT
SCHEMBL21774348 0.76 GSK3B (0.51) EPHX2MAPTALDH1A1MEN1KMT2A
SCHEMBL8828412 0.74 ALOX15 (0.59) SMN1; SMN2ALOX15MAPTALDH1A1MEN1
SCHEMBL11658861 0.74 FFAR1 (0.50) EPHX2NR1H4SMN1; SMN2ALOX15MAPT
SCHEMBL7294121 0.73 ITGB3 (0.67) EPHX2NR1H4ALDH1A1MEN1KMT2A
SCHEMBL10592529 0.73 PLOD2 (0.39) NR1H4SMN1; SMN2MAPTALDH1A1MEN1

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-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
EP-0345572-A2 Sulfonamide derivatives, their preparation and pharmaceuticals containing them BASF Aktiengesellschaft (DE) 1989-12-13 — — EP disclosed
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