SCHEMBL9506573

SCHEMBL9506573

CCCC[C@H]1CC[C@H](COC(=O)C(C(=S)NC)c2ccccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.39
CNR1 P21554 3/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
PTGIR P43119 1/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDH1 O75874 1/20 0.33

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
Hydrochloric Acid SCHEMBL9503367 0.99 CNR2 (0.41) CNR2CNR1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL9503374 0.99 CNR2 (0.41) CNR2CNR1MEN1KMT2AGAA
SCHEMBL9503240 0.97 CNR2 (0.39) CNR2CNR1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL9505496 0.96 CNR2 (0.40) CNR2CNR1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL9503428 0.96 CNR2 (0.40) CNR2CNR1MEN1KMT2AGAA
SCHEMBL9505304 0.94 CNR2 (0.41) CNR2CNR1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL9503607 0.93 CNR2 (0.42) CNR2CNR1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL10519309 0.93 CNR2 (0.42) CNR2CNR1MEN1KMT2AGAA
SCHEMBL9506563 0.88 CNR2 (0.38) CNR2CNR1MEN1KMT2AGAA
SCHEMBL9503493 0.87 CNR2 (0.39) CNR2CNR1MEN1KMT2AGAA

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-0336561-B1 2-PYRIDYLACETIC ACID DERIVATIVES, PREPARATIONS THEREOF, AND COMPOSITIONS CONTAINING THEM SUNTORY LIMITED (JP) 1993-07-28 EP claimed