SCHEMBL5816921

SCHEMBL5816921

O=C(c1ccccc1)c1ccc(CNc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.62
▸ VNN1 O95497 2/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ MAPK13 O15264 1/20 0.58
▸ MAPK12 P53778 1/20 0.58
▸ MAPK11 Q15759 1/20 0.58
▸ MAPK14 Q16539 1/20 0.58
▸ HDAC3 O15379 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ HIF1A Q16665 2/20 0.57
▸ FFAR4 Q5NUL3 2/20 0.56
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ PTPRF P10586 1/20 0.53
▸ PTPN2 P17706 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ PTPN11 Q06124 1/20 0.53

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
SCHEMBL27767592 0.98 FFAR1 (0.64) FFAR1VNN1CA1CA2MAPK13
Hydrochloric Acid SCHEMBL27767600 0.96 FFAR1 (0.62) FFAR1VNN1CA1CA2MAPK13
SCHEMBL11881329 0.93 CA1 (0.68) FFAR1VNN1CA1CA2MAPK13
SCHEMBL2742815 0.91 CA1 (0.70) FFAR1VNN1CA1CA2MAPK13
SCHEMBL13057546 0.89 HTT (0.67) FFAR1VNN1CA1CA2HDAC3
SCHEMBL5211384 0.87 ALDH1A1 (0.65) FFAR1CA1CA2HDAC3HDAC1
SCHEMBL11234024 0.85 CA1 (0.54) FFAR1VNN1CA1CA2MAPK13
SCHEMBL15394697 0.84 CA1 (0.61) FFAR1CA1CA2HDAC3HDAC1
SCHEMBL2302453 0.82 HDAC1 (0.71) FFAR1CA1HDAC3HDAC1HDAC2
SCHEMBL2065031 0.82 CYP1A2 (0.69) FFAR1CA1CA2HIF1AFFAR4

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-2006108204-A1 PHOTOPOLYMERISABLE MIXTURES COMPRISING PHOTOINITIATORS BASED ON BENZOPHENONE AND PHENYLGLYCINE TECHNISCHE UNIVERSITÄT WIEN (AT) 2006-10-19 — — WO disclosed
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