SCHEMBL25640327

SCHEMBL25640327

c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3sc4ccc5c6cc7ccccc7cc6oc5c4c3c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.32
▸ S1PR5 Q9H228 2/20 0.32
▸ MCL1 Q07820 1/20 0.31
▸ ACMSD Q8TDX5 1/20 0.31
▸ F9 P00740 1/20 0.31
▸ PPARG P37231 2/20 0.30
▸ PPARA Q07869 2/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ PRKDC P78527 1/20 0.30

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
SCHEMBL25640353 0.97 F9 (0.33) S1PR4S1PR5MCL1ACMSDF9
SCHEMBL25640373 0.96 CA12 (0.33) F9CA12CA1CA2CA9
SCHEMBL25640299 0.95 S1PR4 (0.31) S1PR4S1PR5MCL1ACMSDF9
SCHEMBL25640375 0.95 S1PR5 (0.33) S1PR4S1PR5
SCHEMBL25640589 0.94 MCL1 (0.31) MCL1ACMSDPPARGPPARACA12
SCHEMBL25640272 0.93 — —
SCHEMBL25640356 0.93 — —
SCHEMBL25640312 0.93 ALOX5 (0.39) HDAC8PRKDC
SCHEMBL25640598 0.91 CA12 (0.32) MCL1ACMSDF9PPARGPPARA
SCHEMBL25640297 0.91 PRKDC (0.38) PRKDC

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
WO-2023113334-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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