SCHEMBL13178917

SCHEMBL13178917

CCc1ccncc1NC(=O)N(C)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.40
KDM6B O15054 3/20 0.40
AOC1 P19801 4/20 0.40
AOC3 Q16853 4/20 0.40
MAP4K1 Q92918 1/20 0.39
PTGS1 P23219 2/20 0.39
FPR1 P21462 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.36
ROCK1 Q13464 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12343952 0.84 MEN1 (0.43) KDM4CKDM6BAOC1AOC3MAP4K1
SCHEMBL20732522 0.80 KDM4C (0.44) KDM4CKDM6BAOC1AOC3PTGS1
SCHEMBL6035358 0.75 CCNE2 (0.42) KDM4CKDM6BAOC1AOC3ROCK1
SCHEMBL12018154 0.73 CYP17A1 (0.48) KDM4CKDM6BRAB9A
SCHEMBL30601022 0.73 CYP17A1 (0.48) KDM4CKDM6BRAB9A
SCHEMBL23889288 0.72 AOC1 (0.69) KDM4CKDM6BAOC1AOC3PTGS1
SCHEMBL15087874 0.71 AOC1 (0.71) KDM4CKDM6BAOC1AOC3PTGS1
SCHEMBL15996758 0.71 CYP17A1 (0.38) KDM4CKDM6BAOC1AOC3PTGS1
SCHEMBL17607192 0.70 KCNMA1 (0.45) KDM4C
SCHEMBL10299406 0.69 AOC1 (0.42) KDM4CKDM6BAOC1AOC3PTGS1

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
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed