SCHEMBL764017

SCHEMBL764017

O=Cc1cc(CO)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
PLAU P00749 1/20 0.38
KRAS P01116 2/20 0.38
PRKCI P41743 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL29935916 1.00 RECQL (0.52) RECQLPLAUKRASPRKCIGABRP
SCHEMBL21645886 0.80 CDK1 (0.40) RECQL
SCHEMBL28000578 0.80 LOXL2 (0.34) RECQLGABRPGABRDGABRA1GABRB1
SCHEMBL9899588 0.80 RECQL (0.52) RECQLPLAUKRASPRKCIGABRP
SCHEMBL29026954 0.80 LOXL2 (0.52) LOXL2
SCHEMBL6642166 0.80 NOS3 (0.52) SMN1; SMN2ALDH1A1
SCHEMBL21597037 0.78 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7089255 0.77 NOS2 (0.36) TSHRALDH1A1
SCHEMBL29393772 0.76 RECQL (0.61) RECQLPLAUKRASPRKCIMAOA
SCHEMBL1411265 0.76 RECQL (0.61) RECQLPLAUKRASPRKCIMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
EP-2431365-A1 AZETIDINE COMPOUND AND MEDICINAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-03-21 EP disclosed
US-6703373-B1 ANTICARCINOGENIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-09 US disclosed