SCHEMBL9854553

SCHEMBL9854553

S=c1c2ccccc2oc2c(Cl)cc(Cl)c(Oc3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TTR P02766 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.33
▸ RHEB Q15382 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALPI P09923 1/20 0.32

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
SCHEMBL9854547 0.72 AHR (0.43) AHRL3MBTL1NPC1POLBRAB9A
SCHEMBL5170454 0.70 NPC1 (0.44) L3MBTL1NPC1POLBRAB9AMAPT
SCHEMBL6388502 0.69 AHR (0.67) AHRTTRSMN1; SMN2
SCHEMBL472763 0.68 AHR (0.50) AHRTTRSMN1; SMN2
SCHEMBL21055936 0.67 AHR (0.48) AHRNPC1RAB9ATTRMAPT
SCHEMBL9854558 0.66 MAOA (0.56) L3MBTL1NPC1POLBRAB9AMAPT
SCHEMBL24589131 0.66 AHR (0.66) AHRL3MBTL1NPC1RAB9ATTR
SCHEMBL24589137 0.66 AHR (0.56) AHRNPC1RAB9ATTRMAPT
SCHEMBL5608879 0.66 AHR (0.50) AHRNPC1RAB9ATTRMAPT
SCHEMBL17264051 0.64 AHR (0.50) AHRL3MBTL1TTRSMN1; SMN2

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-0430881-A2 Photochromic compounds, process for their preparation and their use CIBA-GEIGY AG (CH) 1991-06-05 — — EP disclosed
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