SCHEMBL11432604

SCHEMBL11432604

C=Cc1ccc(Nc2nc(Cl)nc(OC)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.49
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NFKB1 P19838 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11441071 0.85 NFKB1 (0.58) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL9565995 0.81 CA1 (0.58) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL13950835 0.81 TXN (0.64) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL3121156 0.81 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL8330270 0.80 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL11592018 0.77 SMN1; SMN2 (0.63) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL2204832 0.72 MEN1 (0.57) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1966932 0.72 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL8973510 0.72 MAPT (1.00) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL1390681 0.72 MAPT (0.93) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4206279-A COVALENTLY BONDED TO DYES OR DYE PRECURSORS EASTMAN KODAK COMPANY (US) 1980-06-03 US disclosed
US-4168976-A Photographic film units containing aza heterocyclic polymeric mordants EASTMAN KODAK COMPANY (US) 1979-09-25 US disclosed