SCHEMBL952139

SCHEMBL952139

NC(=O)CCCc1cccc(-c2ccn[nH]2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD74 P04233 1/20 0.54
MIF P14174 1/20 0.54
CYP4F2 P78329 15/20 0.48
CYP4A11 Q02928 15/20 0.48
NOTUM Q6P988 1/20 0.48
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
SCN4A P35499 1/20 0.44
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42

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
SCHEMBL30655549 0.80 CD74 (0.50) CD74MIFCYP4F2CYP4A11NOTUM
SCHEMBL933474 0.78 PRKCI (0.57) PLA2G10PLA2G2A
SCHEMBL952137 0.77 CTSV (0.52) CD74MIFCYP4F2CYP4A11NOTUM
SCHEMBL951718 0.77 ROCK2 (0.50) CTSVCTSLCTSBCTSS
SCHEMBL934607 0.76 EPHX2 (0.51)
SCHEMBL22501782 0.75 CD74 (0.57) CD74MIFCYP4F2CYP4A11NOTUM
SCHEMBL3660578 0.75 CD74 (0.74) CD74MIFCYP4F2CYP4A11NOTUM
Hydrochloric Acid SCHEMBL20502146 0.75 GRIA2 (0.58) CD74MIFNOTUMCTSVCTSL
Hydrochloric Acid SCHEMBL20502144 0.75 GRIA2 (0.58) CD74MIFNOTUMCTSVCTSL
SCHEMBL17279815 0.73 NOTUM (0.74) CD74MIFNOTUMSCN4A

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-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed