SCHEMBL6998064

SCHEMBL6998064

O=C(O)C(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
CES1 P23141 2/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
NLRP3 Q96P20 1/20 0.46
CES2 O00748 1/20 0.45
SRD5A2 P31213 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
GSK3B P49841 1/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.42
IGF1R P08069 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
SCHEMBL7001550 0.85 MAOB (0.49) MEN1KMT2AMAPTTDP1CES1
SCHEMBL2598285 0.81 TDP1 (0.55) MEN1KMT2AMAPTTDP1CES1
SCHEMBL2122042 0.79 SRC (0.57) MEN1KMT2ATDP1CES1CES2
SCHEMBL7004051 0.79 HSD17B10 (0.49) MEN1KMT2AMAPTTDP1CES1
SCHEMBL7991264 0.79 MEN1 (0.47) MEN1KMT2APOLBMAPTTDP1
4-Nitrobenzoic Acid SCHEMBL8674796 0.77 TDP1 (0.81) MEN1KMT2APOLBMAPTRAB9A
SCHEMBL6514821 0.77 AKR1C3 (0.51)
SCHEMBL350056 0.76 TSHR (0.53) MEN1KMT2AMAPTTDP1CES1
SCHEMBL3540946 0.76 POLB (0.54) MEN1KMT2APOLBMAPTTDP1
SCHEMBL1979491 0.76 POLB (0.71) MEN1KMT2APOLBMAPTRAB9A

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-1001956-B1 2,3-BENZODIAZEPINE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2003-05-07 EP disclosed
US-6482819-B1 2,3-benzodiazepine derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2002-11-19 US disclosed
EP-1001956-A1 NEW 2,3-BENZODIAZEPINE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-05-24 EP disclosed
WO-1999006408-A1 NEW 2,3-BENZODIAZEPINE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1999-02-11 WO disclosed