SCHEMBL5881337

SCHEMBL5881337

CNC(=O)N1N=C(c2ccc([N+](=O)[O-])c(C)c2)c2cc3c(cc2CC1C)OCO3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.71
GRIA2 P42262 1/20 0.71
BRD4 O60885 5/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TERT O14746 1/20 0.40
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL5881303 0.91 GRIA1 (0.59) GRIA1GRIA2BRD4MEN1KMT2A
SCHEMBL5881315 0.91 GRIA2 (0.62) GRIA1GRIA2BRD4MEN1KMT2A
SCHEMBL4164893 0.91 GRIA1 (0.58) GRIA1GRIA2MEN1KMT2AKDM4E
SCHEMBL4169852 0.91 GRIA1 (0.58) GRIA1GRIA2MEN1KMT2AKDM4E
SCHEMBL4164890 0.91 GRIA1 (0.58) GRIA1GRIA2MEN1KMT2AKDM4E
SCHEMBL8793610 0.89 GRIA1 (0.76) GRIA1GRIA2BRD4MEN1KMT2A
SCHEMBL6987263 0.89 GRIA1 (0.76) GRIA1GRIA2BRD4MEN1KMT2A
SCHEMBL4160736 0.89 GRIA2 (0.55) GRIA1GRIA2BRD4MEN1KMT2A
SCHEMBL4164934 0.89 GRIA2 (0.55) GRIA1GRIA2BRD4MEN1KMT2A
SCHEMBL4160741 0.89 GRIA2 (0.55) GRIA1GRIA2BRD4MEN1KMT2A

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
US-7053082-B1 2,3-benzodiazepine derivatives EGIS GYOGYSZERGYAR RT. (HU) 2006-05-30 US disclosed
EP-1200442-B1 2,3-BENZODIAZEPINE DERIVATIVES EGIS GY GYSZERGY R RT (HU) 2003-06-25 EP disclosed