SCHEMBL11693113

SCHEMBL11693113

Oc1ccc(N=Nc2ccc(Cc3ccc(N=Nc4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.70
▸ ESR2 Q92731 2/20 0.70
▸ NPC1 O15118 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ GLB1 P16278 1/20 0.56
▸ CTRB1 P17538 1/20 0.56
▸ CTRC Q99895 1/20 0.56
▸ MAPT P10636 2/20 0.48
▸ EGFR P00533 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2B P18089 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ KEAP1 Q14145 1/20 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
SCHEMBL11693103 1.00 ESR1 (0.70) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL9367899 0.84 NPC1 (0.78) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL901189 0.84 NPC1 (0.78) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL2969737 0.84 ESR1 (1.00) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL901190 0.84 NPC1 (0.78) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL9367894 0.84 NPC1 (0.78) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL36454 0.84 ESR1 (1.00) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL14352338 0.83 NPC1 (0.56) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL14352337 0.83 NPC1 (0.56) ESR1ESR2NPC1MEN1KMT2A
SCHEMBL14850545 0.81 MEN1 (0.54) ESR1ESR2NPC1MEN1KMT2A

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-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 — — US disclosed
US-3966900-A INSECTICIDES AIRWICK INDUSTRIES, INC. (US) 1976-06-29 — — US disclosed
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