SCHEMBL20071702

SCHEMBL20071702

c1ccc2c(c1)[nH]c1cc3ccc4c(c3cc12)c1cccc2c3ccccc3n4c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.42
CDC25B P30305 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR3 P46089 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KIF11 P52732 11/20 0.35
TOP2A P11388 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 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
SCHEMBL20071407 0.95 AHR (0.46) AHRCDC25BCDK4CCND1ALDH1A1
SCHEMBL20070698 0.90 GABRP (0.39) AHRCDK4CCND1ALDH1A1GABRP
SCHEMBL19890607 0.87 AHR (0.47) AHRCDC25BALDH1A1GPR3HSD17B10
SCHEMBL20068639 0.82 AHR (0.49) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL20068635 0.82 AHR (0.49) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL24161464 0.82 AHR (0.52) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL20068547 0.82 CDK4 (0.50) AHRCDC25BCDK4CCND1ALDH1A1
SCHEMBL20070695 0.81 LPL (0.36)
SCHEMBL19890622 0.81 AHR (0.51) AHRCDC25BALDH1A1GPR3HSD17B10
SCHEMBL16850413 0.81 AHR (0.53) AHRALDH1A1GPR3HSD17B10KIF11

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-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed