SCHEMBL17778705

SCHEMBL17778705

O=C(Nc1cccnc1)N1c2nc(Cl)c(F)cc2N2CCC1C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 12/20 0.44
▸ HTR2C P28335 12/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1H O95180 2/20 0.41
▸ CACNA1I Q9P0X4 2/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ TRPV1 Q8NER1 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
SCHEMBL17778683 1.00 HTR2A (0.44) HTR2AHTR2CMEN1LMNATP53
SCHEMBL17767906 1.00 HTR2A (0.44) HTR2AHTR2CMEN1LMNATP53
SCHEMBL17768200 0.85 HTR2C (0.48) HTR2AHTR2CTRPV1
SCHEMBL17778725 0.85 HTR2C (0.48) HTR2AHTR2CTRPV1
SCHEMBL16249988 0.85 HTR2C (0.48) HTR2AHTR2CTRPV1
SCHEMBL17767930 0.85 HTR2A (0.39) HTR2AHTR2CMEN1TP53KMT2A
SCHEMBL19689818 0.84 HTR2A (0.40) HTR2AHTR2CMEN1TP53KMT2A
SCHEMBL17778706 0.84 HTR2A (0.40) HTR2AHTR2CMEN1TP53KMT2A
SCHEMBL17778719 0.82 MALT1 (0.41) MEN1KMT2ATRPV1
SCHEMBL17767954 0.82 MALT1 (0.41) MEN1KMT2ATRPV1

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
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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