SCHEMBL6200034

SCHEMBL6200034

O=C(NCc1ccc(Cl)cc1)c1cnc2cc(SCc3ccccc3)ccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 1/20 0.42
NR3C1 P04150 2/20 0.42
POLA1 P09884 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL6197724 0.85 LMNA (0.51) TP53ALDH1A1LMNAEGLN1MEN1
SCHEMBL6199742 0.83 EGLN1 (0.51) ALDH1A1LMNAEGLN1CNR2MEN1
SCHEMBL6200491 0.82 MAPK1 (0.46) TP53SCN2ASCN10AALDH1A1LMNA
SCHEMBL6198157 0.82 EGLN1 (0.55) ALDH1A1LMNAEGLN1CNR2MEN1
SCHEMBL6200373 0.82 CNR2 (0.47) TP53ALDH1A1LMNAEGLN1RXFP1
SCHEMBL6200376 0.80 CNR2 (0.49) TP53ALDH1A1LMNAEGLN1RXFP1
SCHEMBL6199161 0.79 EGLN1 (0.47) TP53LMNAEGLN1CNR2KMT2A
SCHEMBL6196111 0.79 EGLN1 (0.47) ALDH1A1LMNAEGLN1CNR2MEN1
SCHEMBL6199118 0.79 EGLN1 (0.47) ALDH1A1LMNAEGLN1MEN1KMT2A
SCHEMBL6198892 0.79 NR3C1 (0.48) ALDH1A1LMNAEGLN1MEN1KMT2A

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