SCHEMBL9854547

SCHEMBL9854547

S=c1c2ccccc2oc2cc(Cl)cc(Oc3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RHEB Q15382 5/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35

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
SCHEMBL29684492 0.89 AHR (0.47) AHRNPC1POLBRAB9AL3MBTL1
SCHEMBL5170454 0.83 NPC1 (0.44) NPC1POLBRAB9AL3MBTL1CYP3A4
SCHEMBL9854558 0.83 MAOA (0.56) NPC1POLBRAB9AL3MBTL1CYP3A4
SCHEMBL1824078 0.73 AHR (0.46) AHRNPC1RAB9ACYP3A4MAOA
SCHEMBL9854553 0.72 AHR (0.39) AHRNPC1POLBRAB9AL3MBTL1
SCHEMBL24566937 0.71 MEN1 (0.46) NPC1POLBRAB9AL3MBTL1CYP1A2
SCHEMBL24566597 0.71 GAA (0.50) NPC1POLBRAB9AL3MBTL1MAOA
SCHEMBL24399894 0.71 L3MBTL1 (0.36) AHRNPC1POLBRAB9AL3MBTL1
SCHEMBL6389676 0.69 AHR (0.70) AHRNPC1RAB9ACYP3A4MAOA
SCHEMBL31488273 0.69 AHR (0.70) AHRNPC1RAB9ACYP3A4MAOA

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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