SCHEMBL952671

SCHEMBL952671

NC(=O)Cc1cc(-c2nnn[nH]2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 11/20 0.40
GRK6 P43250 3/20 0.34
IDO1 P14902 1/20 0.33
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPKAPK3 Q16644 1/20 0.32
MAPK6 Q16659 1/20 0.32
MAPK8 P45983 1/20 0.31
CASP1 P29466 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL954663 0.85 MPO (0.40) ICMTGRK6IDO1
SCHEMBL27557283 0.77 CA2 (0.46)
SCHEMBL1577056 0.76 DGAT1 (0.45) GRK6IDO1MAPK1CASP1
SCHEMBL10145320 0.73 HSD17B10 (0.53)
SCHEMBL23667636 0.73 BTK (0.36) GRK6MAPK1MAP2K4MAPKAPK2MAPKAPK3
SCHEMBL19457204 0.73 TNIK (0.33) GRK6
Hydrochloric Acid SCHEMBL952763 0.72 HSD17B10 (0.51)
SCHEMBL954662 0.72 KCNH2 (0.30) GRK6
SCHEMBL1482781 0.71 RARB (0.42) GRK6
SCHEMBL3647545 0.70 FGFR1 (0.46) GRK6

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