SCHEMBL11525939

SCHEMBL11525939

CCn1c(-c2cc(OC)c(O)c(OC)c2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 7/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TP53 P04637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
RECQL P46063 1/20 0.56
MAPT P10636 5/20 0.54
NPSR1 Q6W5P4 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL11314713 0.82 KDM4E (0.54) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL24141126 0.82 KDM4E (0.72) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL24140535 0.82 KDM4E (0.73) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL11324202 0.81 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11328183 0.79 ESR1 (0.57) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL7260316 0.79 KDM4E (0.56) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL11324101 0.78 GRIK1 (0.56) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL25876977 0.78 KDM4E (0.67) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL10080422 0.78 KDM4E (0.80) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL11313561 0.77 KDM4E (0.73) KDM4EGAAALDH1A1HPGDHSD17B10

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-4174321-A POLYMERIC MOLDING MATERIALS EASTMAN KODAK COMPANY (US) 1979-11-13 US disclosed
US-4127501-A BENZOXAZOLE, BENZOTHIAZOLE, BENZIMIDAZOLE, BENZOTRIAZOLE OR INDOLE DERIVATIVES EASTMAN KODAK COMPANY (US) 1978-11-28 US disclosed