SCHEMBL8351699

SCHEMBL8351699

CC1=NN=C(C=Cc2ccc(N)cc2)c2cc3c(cc2C1)OCO3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP3A4 P08684 3/20 0.63
GRIA2 P42262 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
MAPT P10636 2/20 0.63
CYP2C9 P11712 2/20 0.63
NFKB1 P19838 2/20 0.63
CYP2C19 P33261 2/20 0.63
HIF1A Q16665 2/20 0.63
ALDH1A1 P00352 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
LMNA P02545 2/20 0.62
CYP19A1 P11511 3/20 0.50
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
BLM P54132 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
SCHEMBL8351696 1.00 MEN1 (0.63) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL10479312 0.88 CYP3A4 (0.48) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL8350180 0.88 ALDH1A1 (0.48) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL10479311 0.88 CYP3A4 (0.48) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL7845703 0.88 ALDH1A1 (0.48) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL8351681 0.85 CYP3A4 (0.46) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL7856609 0.85 CYP3A4 (0.46) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL8349840 0.85 MAPT (0.46) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL7855278 0.85 MAPT (0.46) MEN1KMT2ACYP3A4GRIA2CYP1A2
SCHEMBL8189209 0.83 CYP1A2 (0.45) MEN1KMT2ACYP3A4GRIA2CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942506-A TREATMENT OF NERVOUS SYSTEM DISORDERS, ANXIETY GIS GYOGYSZERGYAR RT. (HU) 1999-08-24 US disclosed
EP-0726256-A1 1-Arylvinyl-3,4-dihydro-5H-2,3-benzodiazepine derivatives useful for the treatment of central nervous system disorders EGIS GYOGYSZERGYAR RT. (HU) 1996-08-14 EP disclosed
EP-0726257-A1 1-(Hetero)Arylvinyl-5H-2,3-benzodiazepine derivatives useful for the treatment of central nervous system disorders, and benzopyrylium intermediates for their preparation EGIS GYOGYSZERGYAR RT. (HU) 1996-08-14 EP disclosed