SCHEMBL7381533

SCHEMBL7381533

CCOC(=O)c1ccc2[nH]c3cnc(C(=O)OCC)c(-c4ccccc4)c3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPT P10636 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ HCRTR1 O43613 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ GABRA1 P14867 14/20 0.56
▸ GABRG2 P18507 14/20 0.56
▸ GABRB3 P28472 14/20 0.56
▸ GABRA5 P31644 14/20 0.56
▸ GABRA3 P34903 14/20 0.56
▸ GABRA2 P47869 12/20 0.56
▸ TUBB4A P04350 1/20 0.56
▸ TUBB P07437 1/20 0.56
▸ TUBA3C P0DPH7 1/20 0.56
▸ TUBA1B P68363 1/20 0.56
▸ TUBA4A P68366 1/20 0.56
▸ TUBB4B P68371 1/20 0.56

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
SCHEMBL7381272 0.91 GABRA1 (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7382595 0.89 GABRA1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7382936 0.89 GABRA1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7385550 0.89 GABRA1 (0.66) ALDH1A1MAPTKDM4ESMN1; SMN2GABRA1
SCHEMBL7384757 0.89 GABRA1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7384138 0.89 HPGD (0.64) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7381402 0.88 GABRA1 (0.67) ALDH1A1MAPTKDM4EHCRTR1SMN1; SMN2
SCHEMBL7383581 0.88 GABRA1 (0.71) ALDH1A1MAPTKDM4EMEN1RAB9A
SCHEMBL7380859 0.86 GABRA1 (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7382592 0.86 MEN1 (0.57) ALDH1A1MAPTKDM4EMEN1RAB9A

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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