SCHEMBL27921111

SCHEMBL27921111

C=CCc1cccc(N)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
AKR1B1 P15121 1/20 0.40
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CDK8 P49336 1/20 0.39
CLK2 P49760 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
ACVR1 Q04771 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL7556444 0.87 GABRA1 (0.48) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL10410817 0.81 ALDH1A1 (0.33) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL3125961 0.80 GABRA1 (0.52) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL4000170 0.79 GABRA1 (0.42) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL4966112 0.79 GABRA1 (0.50) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL11052 0.78 GABRA1 (0.47) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL16098652 0.78 PTGDR (0.38) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL23581449 0.77 GABRA1 (0.41) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL31577204 0.77 GABRA1 (0.49) GABRA1GABRB2AKR1B1AURKADAPK3
SCHEMBL3807089 0.77 DPP4 (0.52) ALDH1A1HSD17B10POLBALOX15DPP4

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
CN-103305318-A Lubricating oil composition for automibile engine lubrication CHEVRON JAPAN LTD 2013-09-18 CN disclosed