SCHEMBL6200491

SCHEMBL6200491

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(SCc3ccccc3)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
EGLN1 Q9GZT9 1/20 0.44
CNR2 P34972 1/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR3C1 P04150 2/20 0.41
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
POLA1 P09884 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL6201020 0.88 EGLN1 (0.44) MAPK1EGLN1CNR2LMNAALDH1A1
Bromide SCHEMBL6198000 0.87 EGLN1 (0.43) MAPK1EGLN1CNR2LMNAALDH1A1
SCHEMBL6202167 0.87 EGLN1 (0.43) MAPK1EGLN1CNR2TP53LMNA
SCHEMBL6197548 0.86 LMNA (0.51) EGLN1CNR2LMNAALDH1A1RXFP1
SCHEMBL6200955 0.82 LMNA (0.41) MAPK1EGLN1CNR2LMNAALDH1A1
SCHEMBL6197986 0.82 EGLN1 (0.49) EGLN1CNR2TP53LMNAALDH1A1
SCHEMBL6200034 0.82 TP53 (0.46) EGLN1CNR2TP53LMNAALDH1A1
SCHEMBL6197067 0.82 PTGER4 (0.47) EGLN1CNR2LMNACYP1A2CYP3A4
SCHEMBL6200376 0.81 CNR2 (0.49) MAPK1EGLN1CNR2TP53LMNA
SCHEMBL6198881 0.81 EGLN1 (0.47) EGLN1CNR2LMNAALDH1A1CYP1A2

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