SCHEMBL6196014

SCHEMBL6196014

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)c(F)c(OC3CCOCC3)cc2c1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
TP53 P04637 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
CNR2 P34972 2/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
TYK2 P29597 1/20 0.38
S1PR3 Q99500 1/20 0.38
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
NR3C1 P04150 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
P2RX3 P56373 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6196012 0.88 MAPK1 (0.41) MAPK1RXFP1EGLN1TP53LIPG
SCHEMBL6199108 0.85 KMT2A (0.47) EGLN1LMNATHRBNR3C1
SCHEMBL6195907 0.82 MAPK1 (0.44) MAPK1EGLN1LMNATHRBNR3C1
SCHEMBL6198591 0.81 EGLN1 (0.49) EGLN1CNR2LMNANR3C1CYP1A2
SCHEMBL6195978 0.79 KMT2A (0.47) EGLN1LMNANR3C1
SCHEMBL6222048 0.79 EGLN1 (0.38) MAPK1RXFP1EGLN1TP53LIPG
SCHEMBL6202279 0.77 MAPK1 (0.43) MAPK1EGLN1LMNATHRBNR3C1
SCHEMBL6198524 0.77 EGLN1 (0.51) EGLN1CNR2LMNANR3C1CYP1A2
SCHEMBL6766761 0.76 MAPK1 (0.45) MAPK1RXFP1EGLN1TP53CNR2
SCHEMBL6198708 0.76 EGLN1 (0.44) EGLN1LMNANR3C1PTGER4CYP1A2

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 1 patent. 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 claimed