SCHEMBL9633688

SCHEMBL9633688

O=C1CCc2ccc(NC(=O)C(F)(F)F)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.51
NPY5R Q15761 2/20 0.48
MAPT P10636 1/20 0.48
PBRM1 Q86U86 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL10751140 0.88 BAZ2B (0.55) SMN1; SMN2GAACYP1A2CYP2C9CYP2C19
SCHEMBL22336206 0.85 MAPT (0.68) BAZ1AMAPTPBRM1SMN1; SMN2L3MBTL1
SCHEMBL29538540 0.80 BAZ2B (0.63) BAZ1AMAPTPBRM1SMN1; SMN2CYP1A2
SCHEMBL5442167 0.80 BAZ2B (0.63) BAZ1AMAPTPBRM1SMN1; SMN2CYP1A2
SCHEMBL14175929 0.79 BAZ2B (0.68) BAZ2B
SCHEMBL1825223 0.77 GPR119 (0.45) NPY5RMAPTSMN1; SMN2GAACYP1A2
SCHEMBL26332997 0.76 BAZ1A (0.51) BAZ1APBRM1USP7BAZ2B
SCHEMBL2303295 0.74 KDM4E (0.35) PBRM1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15661603 0.72 BAZ2B (0.57) BAZ1AMAPTSMN1; SMN2GAAMEN1
SCHEMBL22920036 0.72 SMN1; SMN2 (0.49) NPY5RMAPTSMN1; SMN2GAACYP1A2

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-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP disclosed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US disclosed
EP-0337765-A2 Acylsulfonamide derivatives of alpha-carbocyclyltoluic acids used as leukotriene antagonists ICI AMERICAS INC. (US) 1989-10-18 EP disclosed