SCHEMBL11877181

SCHEMBL11877181

Cc1c(-c2ccc(C#N)cc2)oc2cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
SRC P12931 1/20 0.42
MAOB P27338 4/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL8116990 0.82 ALDH1A1 (0.41) MAPTCASP1CASP7SMN1; SMN2CYP3A4
SCHEMBL8032293 0.77 MAOB (0.47) CASP1CASP7SRCMAOBALDH1A1
SCHEMBL18545162 0.76 IDO1 (0.41) MAPTCASP1CASP7SMN1; SMN2CYP3A4
SCHEMBL11878562 0.75 KDM4E (0.42) MAPTCASP1CASP7SMN1; SMN2ALOX15
SCHEMBL6635463 0.74 IDO1 (0.41) CASP1CASP7SRCMAOBALDH1A1
SCHEMBL11881383 0.73 MAPT (0.53) MAPTCASP1CASP7SMN1; SMN2CYP3A4
SCHEMBL17716548 0.71 ERAP1 (0.50) MAPTCASP1CASP7SMN1; SMN2SRC
SCHEMBL14185211 0.70 CA1 (0.40) MAPTCASP1CASP7SMN1; SMN2SRC
SCHEMBL17204267 0.70 ABCG2 (0.43) MAPTCASP1CASP7SMN1; SMN2CYP3A4
SCHEMBL2000840 0.70 SRC (0.63) MAPTCASP1CASP7SMN1; SMN2SRC

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-3983117-A OPTICAL BRIGHTENERS BASF AKTIENGESELLSCHAFT (DT) 1976-09-28 US disclosed