SCHEMBL6201009

SCHEMBL6201009

Nc1ccc(COCCOCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.59
MAOA P21397 3/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TSHR P16473 1/20 0.58
NPC1 O15118 1/20 0.50
NAAA Q02083 1/20 0.49
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
LTA4H P09960 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TAAR1 Q96RJ0 1/20 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
SCHEMBL14378833 0.91 TSHR (0.71) MAOBMAOARAB9AL3MBTL1GAA
SCHEMBL4301097 0.91 TSHR (0.50) MAOBMAOARAB9AL3MBTL1GAA
SCHEMBL7922611 0.90 MAOB (0.63) MAOBMAOARAB9AL3MBTL1GAA
SCHEMBL4756260 0.87 MAOB (0.70) MAOBMAOARAB9AL3MBTL1GAA
SCHEMBL1991359 0.86 TSHR (0.78) L3MBTL1SMN1; SMN2TSHRNAAAIDO1
SCHEMBL1164267 0.84 L3MBTL1 (0.68) MAOBMAOARAB9AL3MBTL1GAA
SCHEMBL9505432 0.84 TSHR (0.74) L3MBTL1SMN1; SMN2TSHRNAAAIDO1
SCHEMBL4608747 0.84 TSHR (0.74) L3MBTL1SMN1; SMN2TSHRNAAAIDO1
SCHEMBL10895400 0.84 TSHR (0.74) L3MBTL1SMN1; SMN2TSHRNAAAIDO1
SCHEMBL26189828 0.84 TSHR (0.74) L3MBTL1SMN1; SMN2TSHRNAAAIDO1

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed