SCHEMBL6604264

SCHEMBL6604264

CCOC(=O)c1c(OS(=O)(=O)C(F)(F)F)c(C#N)c(OC)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NMT2 O60551 2/20 0.37
NMT1 P30419 2/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL6605643 0.85 SMN1; SMN2 (0.49) ALOX15ALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL6606804 0.79 ALDH1A1 (0.45) ALOX15ALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL6604432 0.78 ALOX15 (0.43) ALOX15ALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL6604031 0.78 SMN1; SMN2 (0.46) ALOX15ALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL6603224 0.77 ALPL (0.35) ALDH1A1SMN1; SMN2NPSR1MAPTGAA
SCHEMBL6604272 0.76 METAP2 (0.34)
SCHEMBL25620998 0.76 CA12 (0.49) ALDH1A1SMN1; SMN2HTTNPSR1L3MBTL1
SCHEMBL7589144 0.74 ALDH1A1 (0.38) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL15093518 0.73 MAPT (0.39) ALDH1A1SMN1; SMN2HTTNPSR1MAPT
SCHEMBL5167234 0.71 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HTTMAPTPOLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 WO disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed