SCHEMBL3708760

SCHEMBL3708760

CCCCNc1ccc(-c2ccccc2)c(C)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
SOAT1 P35610 2/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
KDM6B O15054 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
HCAR3 P49019 1/20 0.38
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3704897 0.92 IDO1 (0.42) KDM4EALDH1A1HPGDSOAT1KDM6B
SCHEMBL3698514 0.87 FABP4 (0.40) KDM4EALDH1A1HPGDSOAT1MAPT
SCHEMBL3714028 0.82 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHDAC1HDAC8
SCHEMBL28163070 0.76 MAPT (0.50) KDM4EALDH1A1HPGDSOAT1CNR2
SCHEMBL3135452 0.73 BCAT2 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL3708765 0.72 FAAH (0.43) KDM4EALDH1A1HPGDHCAR3SMN1; SMN2
SCHEMBL3701694 0.71 BCAT2 (0.46) ALDH1A1HPGDMAPTMEN1POLB
Hydrochloric Acid SCHEMBL29287793 0.71 CA1 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
Hydrochloric Acid SCHEMBL29287828 0.71 CA1 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL4785901 0.71 BCAT2 (0.51) KDM4EALDH1A1HPGDSOAT1HDAC3

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
EP-2197835-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS Prosidion Limited (GB) 2010-06-23 EP disclosed
WO-2009030962-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2009-03-12 WO disclosed