SCHEMBL11814735

SCHEMBL11814735

C=CC(=C)Cn1c2ccccc2c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
KRAS P01116 2/20 0.47
BACE1 P56817 2/20 0.46
TSPO P30536 3/20 0.45
GLA P06280 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP19A1 P11511 1/20 0.42
FABP4 P15090 2/20 0.42
FABP5 Q01469 2/20 0.42
FABP3 P05413 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL16809985 0.82 KDM4E (0.47) KDM4ECYP1A2CYP2C19KRASBACE1
SCHEMBL31093102 0.81 FABP4 (0.56) KDM4ECYP1A2CYP2C19BACE1ALDH1A1
SCHEMBL18997116 0.78 KRAS (0.41) KDM4ECYP1A2CYP2C19KRASBACE1
SCHEMBL18997036 0.78 TSPO (0.38) KDM4ECYP1A2CYP2C19KRASBACE1
SCHEMBL17841726 0.78 FABP4 (0.59) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL17841719 0.76 HDAC6 (0.56) CYP1A2CYP2C19CYP19A1HDAC6
SCHEMBL15356177 0.76 KDM4E (0.57) KDM4ECYP1A2CYP2C19BACE1TSPO
SCHEMBL22212586 0.76 KDM4E (0.57) KDM4ECYP1A2CYP2C19BACE1TSPO
SCHEMBL31093149 0.72 KDM4E (0.56) KDM4ECYP1A2CYP2C19BACE1ALDH1A1
SCHEMBL146503 0.71 CYP1A2 (0.56) KDM4ECYP1A2CYP2C19BACE1ALDH1A1

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-3979495-A Method of making a photoreceptor XEROX CORPORATION (US) 1976-09-07 US claimed