SCHEMBL474899

SCHEMBL474899

Cc1cc(Nc2nccs2)nc(N2CCCC(C(=O)O)C2)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
HSD17B10 Q99714 6/20 0.64
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TSHR P16473 4/20 0.49
GAA P10253 1/20 0.49
POLB P06746 2/20 0.46
ADORA2A P29274 1/20 0.45
USP2 O75604 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL343317 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL343315 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL343316 0.84 KDM4E (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3712886 0.83 ADORA2A (0.45) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL341583 0.80 HSD17B10 (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL341581 0.80 HSD17B10 (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL473587 0.78 KDM4E (0.64) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL21744575 0.78 KDM4E (0.66) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10093441 0.77 KDM4E (0.65) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10093442 0.77 KDM4E (0.65) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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-2411011-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD K.K. (JP) 2012-02-01 EP claimed