SCHEMBL7382592

SCHEMBL7382592

COC(=O)c1ccc2[nH]c3cnc(C(=O)OC)c(-c4ccccc4)c3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ KIF11 P52732 2/20 0.49
▸ ATM Q13315 1/20 0.48
▸ GABRA1 P14867 7/20 0.46
▸ GABRG2 P18507 7/20 0.46
▸ GABRB3 P28472 7/20 0.46
▸ GABRA5 P31644 7/20 0.46
▸ GABRA3 P34903 7/20 0.46
▸ GABRA2 P47869 7/20 0.46
▸ GABRB2 P47870 6/20 0.46
▸ GABRA6 Q16445 6/20 0.46
▸ GABRP O00591 5/20 0.46
▸ GABRD O14764 5/20 0.46
▸ GABRB1 P18505 5/20 0.46
▸ GABRA4 P48169 5/20 0.46
▸ GABRE P78334 5/20 0.46
▸ GABRG1 Q8N1C3 5/20 0.46
▸ GABRG3 Q99928 5/20 0.46
▸ GABRQ Q9UN88 5/20 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
SCHEMBL7373356 0.88 ALDH1A1 (0.50) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7382844 0.88 MEN1 (0.47) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7378997 0.88 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7381826 0.87 MAPT (0.53) MEN1KMT2AKIF11GABRA1GABRG2
SCHEMBL7378603 0.87 GABRA1 (0.45) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7381533 0.86 ALDH1A1 (0.58) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL7386571 0.82 NPC1 (0.53) MEN1KMT2AKIF11ATMGABRA1
SCHEMBL7381277 0.80 GABRA1 (0.70) MEN1KMT2AATMGABRA1GABRG2
SCHEMBL14594594 0.79 MEN1 (0.59) MEN1KMT2AKIF11ATMALDH1A1
SCHEMBL7381272 0.78 GABRA1 (0.57) MEN1KMT2AGABRA1GABRG2GABRB3

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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