SCHEMBL9531493

SCHEMBL9531493

O=[N+]([O-])c1ccc([CH]Cc2ccc(Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
CYP19A1 P11511 1/20 0.45
APP P05067 1/20 0.44
FBP1 P09467 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
XDH P47989 1/20 0.42
IDO1 P14902 4/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL8495199 0.83 CYP1A2 (0.63) LOXL2MEN1KMT2AAPPFBP1
SCHEMBL7655222 0.83 ACHE (0.60) LOXL2MEN1KMT2APOLBAPP
SCHEMBL322726 0.83 ACHE (0.60) LOXL2MEN1KMT2APOLBAPP
SCHEMBL5552353 0.83 CYP1A2 (0.53) LOXL2MEN1KMT2ACYP19A1TSHR
SCHEMBL8425628 0.83 CYP1A2 (0.53) MEN1KMT2AAPPFBP1MAPT
SCHEMBL6632469 0.80 MAPT (0.62) LOXL2KMT2APOLBCYP19A1TSHR
SCHEMBL6567516 0.80 KCNJ1 (0.55) MEN1KMT2APOLBAPPMAPT
SCHEMBL6014000 0.80 KCNJ1 (0.55) MEN1KMT2APOLBAPPMAPT
SCHEMBL8991472 0.78 APP (0.64) MEN1KMT2APOLBCYP19A1APP
SCHEMBL8991479 0.78 APP (0.64) MEN1KMT2APOLBCYP19A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340064-B1 BENZODIAZEPINES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE IN THERAPY JOUVEINAL S.A. (FR) 1993-03-17 EP disclosed
EP-0420716-A2 Benzodiazepines, process and intermediates for their preparation and their therapeutic use JOUVEINAL S.A. (FR) 1991-04-03 EP disclosed
EP-0340064-A1 Benzodiazepines, process and intermediates for their preparation and their use in therapy JOUVEINAL S.A. (FR) 1989-11-02 EP disclosed
US-4876251-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-10-24 US disclosed