SCHEMBL11328183

SCHEMBL11328183

COc1cc(-c2nc3ccccc3n2-c2ccccc2)cc(OC)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.57
ESR2 Q92731 3/20 0.57
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
GRIA1 P42261 1/20 0.49
CACNG8 Q8WXS5 1/20 0.49
CACNG2 Q9Y698 1/20 0.49
KDM4E B2RXH2 5/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC8 Q9BY41 2/20 0.45

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
SCHEMBL8023358 0.88 SMN1; SMN2 (0.55) ESR1ESR2MAPK1HTTKDM4E
SCHEMBL8011384 0.85 KDM4E (0.63) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL8025797 0.82 HTT (0.54) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL11314713 0.82 KDM4E (0.54) MAPK1HTTKDM4EGAARECQL
SCHEMBL28724218 0.82 GAA (0.49) ESR1ESR2MAPK1GRIA1CACNG8
SCHEMBL29445662 0.82 GAA (0.49) ESR1ESR2MAPK1GRIA1CACNG8
SCHEMBL24141136 0.82 RECQL (0.48) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL3257779 0.81 ESR2 (0.66) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL29351258 0.81 ESR2 (0.66) ESR1ESR2MAPK1HTTGRIA1
SCHEMBL64508 0.81 ESR2 (0.66) ESR1ESR2MAPK1HTTGRIA1

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
US-4256626-A 2-BENZIMIDAZOLYL-, 2-BENZOTHIAZOLYL-, OR 2-INDOLYL-PHENYL DERIVATIVES LINKED TO A 2-HYDROXYBENZOPHENONE EASTMAN KODAK COMPANY (US) 1981-03-17 US disclosed
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
US-4115348-A DEGRADATION INHIBITORS EASTMAN KODAK COMPANY (US) 1978-09-19 US disclosed