SCHEMBL6201208

SCHEMBL6201208

O=C(O)c1cnc2c(F)c(F)ccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
KDM4E B2RXH2 7/20 0.38
ASPH Q12797 2/20 0.38
KDM8 Q8N371 2/20 0.38
HAVCR2 Q8TDQ0 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
EGLN1 Q9GZT9 3/20 0.34
KDM4A O75164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LDHA P00338 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL31373294 0.84 KDM4E (0.38) ALBKDM4EASPHKDM8HAVCR2
SCHEMBL15054611 0.84 KDM4E (0.41) ALBKDM4EASPHKDM8HAVCR2
SCHEMBL436943 0.83 HAVCR2 (0.56) KDM4EASPHKDM8HAVCR2CES2
SCHEMBL7079605 0.83 HAVCR2 (0.42) KDM4EASPHKDM8HAVCR2CES2
SCHEMBL6198659 0.81 ALB (0.51) ALBKDM4EASPHKDM8HAVCR2
SCHEMBL6201203 0.81 KDM4E (0.41) ALBKDM4EASPHKDM8HAVCR2
SCHEMBL27350687 0.80 ALB (0.34) ALBKDM4EASPHKDM8HAVCR2
SCHEMBL537865 0.79 MAPT (0.49) KDM4EHPGDALDH1A1TSHRRAB9A
SCHEMBL30318891 0.79 HAVCR2 (0.37) KDM4EASPHKDM8HAVCR2AKR1C2
SCHEMBL29281915 0.79 HAVCR2 (0.37) KDM4EASPHKDM8HAVCR2AKR1C2

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