SCHEMBL6201037

SCHEMBL6201037

CCOC(=O)c1ccc2c(C)cccc2n1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 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
SCHEMBL13534722 0.84 MEN1 (0.47) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL29120043 0.84 CYP1A2 (0.58) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6889759 0.82 ALDH1A1 (0.61) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL7629466 0.80 MGAM (0.56) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL431290 0.80 KDM4E (0.64) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL30253505 0.80 KDM4E (0.64) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
Acetic Acid SCHEMBL28239519 0.79 KDM4E (0.63) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL1478915 0.78 CYP1A2 (1.00) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL28432219 0.78 CYP1A2 (0.53) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL109583 0.77 CYP1A2 (0.82) CYP1A2MAPTSMN1; SMN2ALDH1A1MEN1

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