SCHEMBL6204065

SCHEMBL6204065

O=C(NNc1ccc(Cl)cc1)c1cnc2c(I)cccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.47
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 6/20 0.43
LMNA P02545 4/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GFER P55789 1/20 0.39
AGTR1 P30556 2/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6200560 0.86 GAA (0.52) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6198193 0.81 EGLN1 (0.54) GAAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL6200932 0.79 GAA (0.41) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6199743 0.77 GAA (0.44) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6198567 0.76 GAA (0.43) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6198572 0.74 PTGS2 (0.44) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL27487163 0.74 HAVCR2 (0.47) ALDH1A1ALOX12LMNAMAPTTDP1
SCHEMBL21261424 0.74 GAA (0.71) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6198610 0.69 EGLN1 (0.56) GAAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL6198755 0.69 POLA1 (0.57) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA

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