SCHEMBL7382844

SCHEMBL7382844

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ GABRA1 P14867 6/20 0.46
▸ GABRG2 P18507 6/20 0.46
▸ GABRB3 P28472 6/20 0.46
▸ GABRA5 P31644 6/20 0.46
▸ GABRA3 P34903 6/20 0.46
▸ GABRA2 P47869 6/20 0.46
▸ GABRB2 P47870 5/20 0.46
▸ GABRA6 Q16445 5/20 0.46
▸ GABRP O00591 4/20 0.46
▸ GABRD O14764 4/20 0.46
▸ GABRB1 P18505 4/20 0.46
▸ GABRA4 P48169 4/20 0.46
▸ GABRE P78334 4/20 0.46
▸ GABRG1 Q8N1C3 4/20 0.46

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
SCHEMBL7382595 0.89 GABRA1 (0.55) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7382592 0.88 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7378997 0.87 GABRA1 (0.56) MAPTALDH1A1KDM4EGABRA1GABRG2
SCHEMBL7373356 0.87 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7381826 0.86 MAPT (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7378603 0.86 GABRA1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7380216 0.83 GABRA1 (0.48) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7381272 0.77 GABRA1 (0.57) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7383581 0.77 GABRA1 (0.71) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7381533 0.77 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1KDM4E

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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