SCHEMBL7378603

SCHEMBL7378603

COC(=O)c1ncc2[nH]c3ccc(SC)cc3c2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 15/20 0.45
▸ GABRG2 P18507 15/20 0.45
▸ GABRB3 P28472 15/20 0.45
▸ GABRA5 P31644 15/20 0.45
▸ GABRA3 P34903 15/20 0.45
▸ GABRA2 P47869 13/20 0.44
▸ GABRA6 Q16445 10/20 0.44
▸ GABRB2 P47870 9/20 0.44
▸ GABRP O00591 8/20 0.44
▸ GABRD O14764 8/20 0.44
▸ GABRB1 P18505 8/20 0.44
▸ GABRA4 P48169 8/20 0.44
▸ GABRE P78334 8/20 0.44
▸ GABRG1 Q8N1C3 8/20 0.44
▸ GABRG3 Q99928 8/20 0.44
▸ GABRQ Q9UN88 8/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 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
SCHEMBL7382592 0.87 MEN1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7382844 0.86 MEN1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7373356 0.86 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7378997 0.86 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381826 0.85 MAPT (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7385381 0.84 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381592 0.82 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381272 0.77 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7383581 0.76 GABRA1 (0.71) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381533 0.76 ALDH1A1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 — — US disclosed
EP-0030254-B1 BETA-CARBOLIN-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR THERAPEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 1984-10-31 — — EP disclosed
US-4371536-A TRANQUILIZERS A/S FERROSAN (DK) 1983-02-01 — — US disclosed
EP-0030254-A1 Beta-carbolin-3-carboxylic acid derivatives, pharmaceutical compositions containing them and their therapeutical use SCHERING AKTIENGESELLSCHAFT (DE) 1981-06-17 — — EP disclosed
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