SCHEMBL21563330

SCHEMBL21563330

Cc1ccccc1/N=C1C(=N/c2c(C)cccc2C)/c2cccc3cccc/1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ALDH1A1 P00352 7/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PAX8 Q06710 1/20 0.41
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL5588472 0.89 POLB (0.49) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL5588478 0.89 POLB (0.49) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL21563329 0.89 POLB (0.49) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL5588451 0.88 POLB (0.47) POLBALDH1A1MAPK1HSD17B10TSHR
Bromide SCHEMBL17835968 0.86 POLB (0.46) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL17835969 0.83 POLB (0.44) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL15624720 0.80 POLB (0.42) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL2231358 0.78 ALDH1A1 (0.53) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL2231354 0.78 ALDH1A1 (0.53) POLBALDH1A1MAPK1HSD17B10TSHR
SCHEMBL31619763 0.78 ALDH1A1 (0.44) POLBALDH1A1MAPK1HSD17B10TSHR

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-2019217930-A1 LIGHT AS CATALYTIC SWITCH: METAL-ORGANIC INSERTION/LIGHT INITIATED RADICAL (MILRad) POLYMERIZATION UNIVERSITY OF HOUSTON SYSTEM (US) 2019-11-14 WO disclosed