SCHEMBL5033464

SCHEMBL5033464

[C](c1ccncc1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.58
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNA1 Q09470 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSD P07339 1/20 0.40
DDAH1 O94760 1/20 0.40
NOS1 P29475 1/20 0.40
NOTUM Q6P988 1/20 0.38
GRM5 P41594 2/20 0.37
CHRM5 P08912 1/20 0.36
CHKA P35790 1/20 0.36
LOXL2 Q9Y4K0 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
SCHEMBL1465780 0.80
SCHEMBL1820120 0.79 HDAC8 (0.58) HDAC8LMNAMAPTMEN1KMT2A
SCHEMBL1649302 0.76 HDAC8 (0.55) HDAC8LMNAMAPTGRM5FFAR1
Isonicotinonitrile SCHEMBL12264099 0.73
Isonicotinonitrile SCHEMBL2015834 0.73 HDAC8 (0.52) HDAC8LMNAMAPTKMT2AALDH1A1
SCHEMBL1190707 0.73 HDAC8 (0.52) HDAC8LMNAMAPTMEN1KMT2A
SCHEMBL4583853 0.73
SCHEMBL446651 0.73
Isonicotinonitrile SCHEMBL151611 0.73
SCHEMBL11019406 0.73

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
US-20080274419-A1 Photoconductors XEROX CORPORATION 2008-11-06 US claimed
US-20080274419-A1 Photoconductors XEROX CORPORATION 2008-11-06 US disclosed