SCHEMBL13200871

SCHEMBL13200871

O=C(Cc1ccc(OCc2ccccc2)cc1)Nc1nc2ccccc2s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 8/20 0.77
NFKB1 P19838 1/20 0.77
NFKB2 Q00653 1/20 0.77
RELA Q04206 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MAPT P10636 1/20 0.67
WNT3A P56704 1/20 0.64
ROCK2 O75116 1/20 0.62
GAA P10253 1/20 0.58
SCD O00767 1/20 0.58
POLB P06746 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX12 P18054 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL30050826 0.88 CSNK1D (1.00) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL11585824 0.88 CSNK1D (1.00) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL13200869 0.87 WNT3A (0.64) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL13239642 0.84 ALOX5 (0.70) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL28691084 0.83 MAPK1 (0.67) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL30636141 0.83 MAPK1 (0.67) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL13200845 0.82 POLB (0.63) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL17287636 0.81 CSNK1D (0.80) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL6179039 0.80 NPC1 (0.76) CSNK1DNFKB1NFKB2RELASMN1; SMN2
SCHEMBL17287753 0.80 CSNK1D (1.00) CSNK1DNFKB1NFKB2RELASMN1; SMN2

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-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed