SCHEMBL3149598

SCHEMBL3149598

COC(=O)Oc1ccc2[nH]c(Cl)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
RHEB Q15382 1/20 0.39
FLT3 P36888 2/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KLF5 Q13887 1/20 0.36
NQO2 P16083 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
XDH P47989 1/20 0.36
PKM P14618 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
SCHEMBL3140572 0.88 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL3257235 0.85 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL9305044 0.83 PDE3B (0.46) KMT2AALDH1A1PDE3BPDE3ANPC1
SCHEMBL1193199 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8788853 0.80 THRB (0.44) MEN1KMT2AALDH1A1MAPTCYP2C19
SCHEMBL1193316 0.78 RHEB (0.54) MEN1KMT2AALDH1A1MAPTRHEB
Hydrochloric Acid SCHEMBL8934824 0.77 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8934805 0.76 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL9707250 0.75 PDGFRB (0.35) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL4606421 0.75 MMP12 (0.47) KMT2AALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863790-B1 AMIDE-SUBSTITUTED 8-N-BENZIMIDAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE OF THE SAME AS MEDICAMENTS SANOFI AVENTIS (FR) 2010-02-10 EP disclosed