SCHEMBL933472

SCHEMBL933472

CC(Cc1cccc(-c2ccncc2)c1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.54
PRMT6 Q96LA8 1/20 0.50
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
ABHD6 Q9BV23 2/20 0.46
MGLL Q99685 1/20 0.46
PLA2G10 O15496 3/20 0.44
PLA2G2A P14555 3/20 0.44
ROCK1 Q13464 1/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G5 P39877 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
PLA2G12B Q9BX93 1/20 0.44
PLA2G12A Q9BZM1 1/20 0.44
PLA2G2F Q9BZM2 1/20 0.44
PLA2G3 Q9NZ20 1/20 0.44
PLA2G2E Q9NZK7 1/20 0.44

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
SCHEMBL934603 0.86 PSMB5 (0.53) PRMT6CTSVCTSLCTSSF10
SCHEMBL933898 0.83 CYP17A1 (0.49) F10PRSS1ROCK1ALDH1A1CYP3A4
SCHEMBL1286079 0.80 CYP3A4 (0.54) ALDH1A1CYP3A4
SCHEMBL951716 0.79 CTSV (0.52) CTSVCTSLCTSSROCK1ROCK2
SCHEMBL952137 0.79 CTSV (0.52) CTSVCTSLCTSSPLA2G10PLA2G2A
SCHEMBL31369767 0.78 GRIA2 (0.69) PRKCIGRIA2
SCHEMBL31369588 0.78 GRIA2 (0.69) PRKCIGRIA2
SCHEMBL15881159 0.78 CTSV (0.53) CTSVCTSLCTSSPLA2G10PLA2G2A
SCHEMBL28964214 0.76 PRMT6 (0.56) PRKCIPRMT6CTSVCTSLCTSS
SCHEMBL28964216 0.76 PRMT6 (0.56) PRKCIPRMT6CTSVCTSLCTSS

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