SCHEMBL8040091

SCHEMBL8040091

Cc1ccc(-n2c(=O)ccc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
BRPF1 P55201 1/20 0.52
CA9 Q16790 1/20 0.52
KAT2B Q92831 1/20 0.52
BRD9 Q9H8M2 1/20 0.52
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
METAP2 P50579 1/20 0.42
HTT P42858 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP1A2 P05177 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL29941621 0.85 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL3046549 0.85 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL28409273 0.83 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL28412720 0.83 CA12 (0.52) CA12BRD4BRPF1CA9KAT2B
SCHEMBL7293263 0.82 BRPF1 (0.47) CA12BRD4BRPF1CA9KAT2B
SCHEMBL11693860 0.81 LMNA (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL27250848 0.79 CA12 (0.45) CA12BRD4BRPF1CA9KAT2B
SCHEMBL7286251 0.77 SCN2A (0.47) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6576502 0.74 TDP2 (0.36) KDM4EKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL27335700 0.72 CA12 (0.41) CA12BRD4BRPF1CA9KAT2B

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
WO-2014005125-A2 FLUORESCENT COMPOUNDS AND USES THEREOF BIOTIUM, INC. (US) 2014-01-03 WO disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 WO disclosed