SCHEMBL8539685

SCHEMBL8539685

CCCCC(=O)Nc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL8539689 1.00 CYP1A2 (0.53) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL7012222 0.88 CYP1A2 (0.53) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL9195088 0.84 KMT2A (0.51) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL7596958 0.82 KDM4E (0.46) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL8500032 0.81 AKR1C3 (0.49) CYP1A2MEN1KMT2AALDH1A1TSHR
SCHEMBL9192883 0.81 CYP1A2 (0.52) CYP1A2CYP3A4MEN1KMT2AALDH1A1
SCHEMBL3478216 0.81 MAPT (0.56) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL4565884 0.80 HDAC3 (0.57) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL1917678 0.80 LMNA (0.51) CYP1A2CYP3A4MEN1KMT2AKDM4E
SCHEMBL5110430 0.79 TSHR (0.59) CYP1A2CYP3A4MEN1KMT2AKDM4E

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-0461039-B1 Benzimidazole derivatives, process and intermediates for their preparation, their use as medicaments and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1998-09-16 EP disclosed
EP-0461039-A1 Benzimidazole derivatives, process and intermediates for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1991-12-11 EP disclosed