SCHEMBL14490986

SCHEMBL14490986

CONC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.83
NPC1 O15118 10/20 0.83
SMN1; SMN2 Q16637 5/20 0.83
TP53 P04637 4/20 0.83
ALOX15 P16050 1/20 0.83
ALDH1A1 P00352 6/20 0.68
CYP1A2 P05177 2/20 0.68
KDM4E B2RXH2 2/20 0.68
KMT2A Q03164 5/20 0.66
MEN1 O00255 2/20 0.66
CYP3A4 P08684 1/20 0.66
GAA P10253 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
MAPK1 P28482 1/20 0.62
CASP3 P42574 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61

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
SCHEMBL6799157 0.91 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL9402885 0.89 CA1 (0.71) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL11462217 0.87 RAB9A (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6816201 0.87 RAB9A (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL330082 0.85 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070141630-A1 IDENTIFICATION OF NON-COVALENT COMPLEXES BY MASS SPECTROMETRY GENENTECH, INC. (US) 2007-06-21 US disclosed