SCHEMBL952137

SCHEMBL952137

CC(Cc1cccc(-c2ccn[nH]2)c1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
NOTUM Q6P988 1/20 0.44
PLA2G10 O15496 3/20 0.41
PLA2G2A P14555 3/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
PLA2G12B Q9BX93 1/20 0.41
PLA2G12A Q9BZM1 1/20 0.41
PLA2G2F Q9BZM2 1/20 0.41
PLA2G3 Q9NZ20 1/20 0.41
PLA2G2E Q9NZK7 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41

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 SCHEMBL20502144 0.80 GRIA2 (0.58) CTSVCTSLCTSBCTSSCD74
Hydrochloric Acid SCHEMBL20502146 0.80 GRIA2 (0.58) CTSVCTSLCTSBCTSSCD74
SCHEMBL933472 0.79 PRKCI (0.54) CTSVCTSLCTSSPLA2G10PLA2G2A
Hydrochloric Acid SCHEMBL28362841 0.78 CTSV (0.51) CTSVCTSLCTSBCTSSCD74
Hydrochloric Acid SCHEMBL20502165 0.78 CTSV (0.51) CTSVCTSLCTSBCTSSCD74
Hydrochloric Acid SCHEMBL30655869 0.78 CTSV (0.51) CTSVCTSLCTSBCTSSCD74
SCHEMBL952139 0.77 CD74 (0.54) CTSVCTSLCTSBCTSSCD74
SCHEMBL951716 0.77 CTSV (0.52) CTSVCTSLCTSBCTSS
SCHEMBL934603 0.76 PSMB5 (0.53) CTSVCTSLCTSBCTSS
SCHEMBL10311353 0.74 NOTUM (0.57) CTSVCTSLCTSBCTSSCD74

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