SCHEMBL23723209

SCHEMBL23723209

c1ccc2c(c1)[nH]c1cc3c4c(c5ccccc5n4c4cccc5c6ccccc6n3c54)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.43
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
GABRP O00591 5/20 0.41
GABRD O14764 5/20 0.41
GABRA1 P14867 5/20 0.41
GABRB1 P18505 5/20 0.41
GABRG2 P18507 5/20 0.41
GABRB3 P28472 5/20 0.41
GABRA5 P31644 5/20 0.41
GABRA3 P34903 5/20 0.41
GABRA2 P47869 5/20 0.41
GABRB2 P47870 5/20 0.41
GABRA4 P48169 5/20 0.41
GABRE P78334 5/20 0.41
GABRA6 Q16445 5/20 0.41
GABRG1 Q8N1C3 5/20 0.41
GABRG3 Q99928 5/20 0.41
GABRQ Q9UN88 5/20 0.41
CDK4 P11802 2/20 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
SCHEMBL19162398 0.85 AHR (0.53) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL23723205 0.84 GABRA1 (0.45) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL23728740 0.83 AHR (0.49) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL23723203 0.82 GABRA1 (0.50) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL23728369 0.82 GABRP (0.43) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL26350574 0.81 AHR (0.47) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL23728209 0.79 AHR (0.50) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL31722759 0.79 GABRA1 (0.46) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL18933750 0.79 IMPDH2 (0.41) AHRIMPDH2IMPDH1GABRPGABRD
SCHEMBL24961643 0.78 GABRP (0.44) AHRIMPDH2IMPDH1GABRPGABRD

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-2021153931-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-08-05 WO disclosed