SCHEMBL21034052

SCHEMBL21034052

Cc1nccc2c(-c3ccccc3)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.53
CYP2A6 P11509 1/20 0.52
TNF P01375 1/20 0.44
CYP1A2 P05177 3/20 0.43
MAP4K4 O95819 2/20 0.43
CSF1R P07333 2/20 0.43
FGFR1 P11362 2/20 0.43
LTK P29376 2/20 0.43
KDR P35968 2/20 0.43
MAPK8 P45983 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CDK5 Q00535 2/20 0.43
ACVR1 Q04771 2/20 0.43
AURKB Q96GD4 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43

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
SCHEMBL16189301 0.89 CYP2A6 (0.46) PLGCYP2A6TNFCYP1A2KDM4E
SCHEMBL9826371 0.85 CYP2A6 (0.47) PLGCYP2A6TNFCYP1A2MAP4K4
SCHEMBL16189411 0.84 PIK3CA (0.42) PLGCYP2A6TNFCYP1A2MAP4K4
SCHEMBL12202298 0.80 CYP2A6 (0.40) PLGCYP2A6CYP1A2MAP4K4CSF1R
SCHEMBL13638209 0.79 CYP2A6 (0.39) PLGCYP2A6CYP1A2ACVR1IKBKB
SCHEMBL30631719 0.78 PLG (0.54) PLGTNFMAP4K4CSF1RFGFR1
SCHEMBL11978674 0.78 AKT1 (0.44) CYP2A6CDK8MEN1TSHRMAPK1
SCHEMBL2517096 0.77 LMNA (0.55) PLGCYP2A6TNFMAP4K4CSF1R
SCHEMBL12202479 0.77 CYP2A6 (0.41) PLGCYP2A6TNFMAP4K4CSF1R
SCHEMBL22515594 0.77 PLG (0.49) PLGTNFCYP1A2MAP4K4CSF1R

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-10305041-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-28 US disclosed