SCHEMBL8773928

SCHEMBL8773928

O=C(O)N(c1ccc([N+](=O)[O-])cc1)c1cccc(Cc2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.39
CRHR2 Q13324 3/20 0.39
AR P10275 5/20 0.37
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TLR9 Q9NR96 1/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8773924 1.00 CRHBP (0.39) CRHBPCRHR2ARRIPK1ALDH1A1
SCHEMBL8773926 0.80 SNCA (0.33) ARALDH1A1MEN1KMT2AKDM4E
SCHEMBL4605520 0.78 TSHR (0.50) RIPK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4836695 0.75 POLB (0.51) RIPK1ALDH1A1MEN1KMT2APKM
SCHEMBL8534580 0.73 GAA (0.43) ALDH1A1MEN1KMT2AATMHTT
SCHEMBL8533492 0.73 FPR1 (0.45) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL21247872 0.72 ALDH1A1 (0.67) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL29182467 0.71 ALDH1A1 (0.57) CRHBPCRHR2ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9542971 0.69 KCNH2 (0.42) ALDH1A1MEN1KMT2AL3MBTL1ATM
SCHEMBL1873509 0.69 MAPK1 (0.52) CRHBPCRHR2ALDH1A1MEN1KMT2A

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
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed