SCHEMBL31336105

SCHEMBL31336105

O=S(=O)(Oc1cccc2oc3ccc4ccccc4c3c12)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.41
▸ AHR P35869 4/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ MAPK3 P27361 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL24735370 1.00 ABCG2 (0.41) ABCG2AHRPAX8CYP1A1CYP1A2
SCHEMBL17080387 0.86 FABP1 (0.40) AHRCYP1A2TDP1MEN1MAPT
SCHEMBL24627968 0.85 CDC14B (0.38) ABCG2CYP1A1CYP1A2L3MBTL1MEN1
SCHEMBL24628085 0.85 MAOA (0.38) MAOACDC14BCDC14A
SCHEMBL18795081 0.85 CDC14B (0.46) ABCG2CYP1A1CYP1A2MEN1TP53
SCHEMBL26389769 0.85 CNR2 (0.42) ABCG2PAX8CYP1A1CYP1A2L3MBTL1
SCHEMBL29467235 0.85 CNR2 (0.42) ABCG2PAX8CYP1A1CYP1A2L3MBTL1
SCHEMBL18117612 0.83 HSD11B1 (0.35) ABCG2L3MBTL1TDP1CDC14BCDC14A
SCHEMBL26122513 0.82 HSD11B1 (0.37) CYP1A2MEN1TP53CYP3A4MAPT
SCHEMBL2620741 0.80 CNR2 (0.38) L3MBTL1MEN1TP53CYP3A4MAPT

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
CN-113631543-B Organic electroluminescent element and electronic device using the same 出光兴产株式会社 2025-01-17 — — CN disclosed
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