SCHEMBL3728433

SCHEMBL3728433

CN(C)CCNn1c(=O)ccc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.45
CA12 O43570 1/20 0.45
BRD4 O60885 1/20 0.45
BRPF1 P55201 1/20 0.45
CA9 Q16790 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
HTR2C P28335 3/20 0.43
HTR2A P28223 1/20 0.43
MALT1 Q9UDY8 1/20 0.37
CYP2C19 P33261 1/20 0.36
NQO2 P16083 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTR1D P28221 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6436320 0.83 CA12 (0.49) KAT2BCA12BRD4BRPF1CA9
SCHEMBL3733975 0.83 CA12 (0.49) KAT2BCA12BRD4BRPF1CA9
SCHEMBL3737684 0.80 CA12 (0.53) KAT2BCA12BRD4BRPF1CA9
SCHEMBL1052536 0.75 KAT2B (0.47) KAT2BCA12BRD4BRPF1CA9
SCHEMBL1052534 0.75 CA12 (0.47) KAT2BCA12BRD4BRPF1CA9
SCHEMBL1052583 0.74 KAT2B (0.42) KAT2BCA12BRD4BRPF1CA9
SCHEMBL1052760 0.73 CA12 (0.57) KAT2BCA12BRD4BRPF1CA9
SCHEMBL3738350 0.72 KAT2B (0.41) KAT2BCA12BRD4BRPF1CA9
SCHEMBL1055086 0.72 KDM4E (0.45) KAT2BCA12BRD4BRPF1CA9
SCHEMBL3731044 0.71 HRH3 (0.49) CYP2C19ALDH1A1CYP1A2HSD17B10

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-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed