SCHEMBL21414540

SCHEMBL21414540

c1ccc2c(c1)[nH]c1ccc3c(ccc4oc5ccccc5c43)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.51
▸ GABRD O14764 1/20 0.51
▸ GABRA1 P14867 1/20 0.51
▸ GABRB1 P18505 1/20 0.51
▸ GABRG2 P18507 1/20 0.51
▸ GABRB3 P28472 1/20 0.51
▸ GABRA5 P31644 1/20 0.51
▸ GABRA3 P34903 1/20 0.51
▸ GABRA2 P47869 1/20 0.51
▸ GABRB2 P47870 1/20 0.51
▸ GABRA4 P48169 1/20 0.51
▸ GABRE P78334 1/20 0.51
▸ GABRA6 Q16445 1/20 0.51
▸ GABRG1 Q8N1C3 1/20 0.51
▸ GABRG3 Q99928 1/20 0.51
▸ GABRQ Q9UN88 1/20 0.51
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 2/20 0.45
▸ IMPDH2 P12268 1/20 0.44
▸ IMPDH1 P20839 1/20 0.44

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
SCHEMBL29641937 0.89 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17948240 0.89 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29819495 0.89 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17380885 0.86 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24860209 0.85 GABRA1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21781240 0.85 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18926345 0.85 GABRA1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12219442 0.83 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17433180 0.83 KIF11 (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21726247 0.82 PARP1 (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-3394062-B1 HETERO-CONDENSED PHENYLQUINAZOLINES AND THEIR USE IN ELECTRONIC DEVICES IDEMITSU KOSAN CO (JP) 2019-10-02 — — EP disclosed
Send feedback