SCHEMBL23772956

SCHEMBL23772956

Bc1ccc2c(c1)c1ccc(O)cc1n2-c1cc2c(cn1)sc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 1/20 0.35

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
SCHEMBL23772911 0.92 ALDH1A1 (0.32) —
SCHEMBL23773003 0.83 ESR2 (0.31) —
SCHEMBL23772910 0.81 KDM4E (0.30) —
SCHEMBL25751933 0.80 GPR3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24593252 0.80 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23773099 0.79 MAOA (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23773023 0.78 — —
SCHEMBL23772950 0.78 ESR2 (0.33) —
SCHEMBL23772673 0.78 MAOA (0.30) —
SCHEMBL10451378 0.77 GABRP (0.38) 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
US-20210253446-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-08-19 — — US disclosed
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