SCHEMBL3733975

SCHEMBL3733975

CNCCNn1c(=O)ccc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
BRD4 O60885 1/20 0.49
BRPF1 P55201 1/20 0.49
KAT2B Q92831 1/20 0.49
BRD9 Q9H8M2 1/20 0.49
SLC6A2 P23975 9/20 0.39
SLC6A4 P31645 7/20 0.39
KMT2A Q03164 1/20 0.37
MAPK1 P28482 3/20 0.35
HTT P42858 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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 0.87 CA12 (0.49) CA12CA9BRD4BRPF1KAT2B
SCHEMBL3737684 0.84 CA12 (0.53) CA12CA9BRD4BRPF1KAT2B
SCHEMBL3728433 0.83 KAT2B (0.45) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1052760 0.80 CA12 (0.57) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1052536 0.79 KAT2B (0.47) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1052534 0.79 CA12 (0.47) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1052583 0.77 KAT2B (0.42) CA12CA9BRD4BRPF1KAT2B
SCHEMBL9688318 0.77 CA12 (0.53) CA12CA9BRD4BRPF1KAT2B
SCHEMBL3738350 0.76 KAT2B (0.41) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1055086 0.76 KDM4E (0.45) CA12CA9BRD4BRPF1KAT2B

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