SCHEMBL6621756

SCHEMBL6621756

O=c1ncc(=O)n(-c2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDR P35968 1/20 0.48
MAPK1 P28482 1/20 0.44
MAPK8 P45983 2/20 0.43
KMT2A Q03164 1/20 0.43
PGR P06401 4/20 0.42
MAPK9 P45984 1/20 0.42
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
APOBEC3G Q9HC16 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL30050771 0.79 ALDH1A1 (0.53) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL10944497 0.79 ALDH1A1 (0.53) KDM4EATML3MBTL1MAPK1KMT2A
SCHEMBL4304114 0.75 KDM4E (0.74) KDM4EATML3MBTL1KDRMAPK1
SCHEMBL30927975 0.75 KDM4E (0.74) KDM4EATML3MBTL1KDRMAPK1
SCHEMBL5995444 0.75 KDM4E (0.53) KDM4EATMKMT2APGRALDH1A1
SCHEMBL11447666 0.72 MAPK1 (0.59) KDM4EATML3MBTL1MAPK1MAPK8
SCHEMBL796759 0.72 KDM4E (0.61) KDM4EATML3MBTL1KDRMAPK1
SCHEMBL10514072 0.71 HTT (0.56) KMT2AALDH1A1
SCHEMBL7290888 0.71 ALDH1A1 (0.61) KDM4EL3MBTL1MAPK1PGRALDH1A1
SCHEMBL1545030 0.71 GABRA1 (0.49) KDM4EATML3MBTL1KDRMAPK1

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
EP-1143946-B1 USE OF BENZODIAZEPINES FOR TREATING AUTOIMMUNE DISEASES INDUCED BY APOPTOSIS UNIV MICHIGAN (US) 2004-01-28 EP disclosed