SCHEMBL5168902

SCHEMBL5168902

Cc1ccc(OCC#Cc2ccc(C(N)C[C@@H](C)CO)s2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
KDR P35968 1/20 0.32
KCNH2 Q12809 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6304445 0.85 TDP1 (0.31) MEN1KMT2A
SCHEMBL5169585 0.82 MAPT (0.36) RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL6309126 0.82 MAPK1 (0.39) RAB9AMEN1KMT2A
SCHEMBL6310914 0.75 EGLN1 (0.37) KMT2A
SCHEMBL7074319 0.75 DPP4 (0.33)
SCHEMBL5166942 0.75 DPP4 (0.33)
SCHEMBL6767647 0.73 ALDH1A1 (0.42) RAB9AKCNH2MEN1KMT2A
SCHEMBL5166196 0.73 GRM5 (0.32)
SCHEMBL5168898 0.73 RAB9A (0.33) RAB9AKDRKCNH2MEN1KMT2A
SCHEMBL5168423 0.72 HIF1A (0.32)

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-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed