SCHEMBL25640299

SCHEMBL25640299

c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3sc4ccc5c6cc7ccccc7cc6oc5c4c3c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 2/20 0.31
▸ S1PR5 Q9H228 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ACMSD Q8TDX5 1/20 0.31
▸ F9 P00740 1/20 0.31

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
SCHEMBL25640373 0.95 CA12 (0.33) F9
SCHEMBL25640327 0.95 S1PR4 (0.32) S1PR4S1PR5MCL1ACMSDF9
SCHEMBL25640353 0.94 F9 (0.33) S1PR4S1PR5ALDH1A1MAPTMCL1
SCHEMBL25640567 0.94 ALDH1A1 (0.31) ALDH1A1MAPTCYP1A1CYP1A2CYP1B1
SCHEMBL25640375 0.91 S1PR5 (0.33) S1PR4S1PR5ALDH1A1MAPTCYP1A1
SCHEMBL25640272 0.90 — —
SCHEMBL25640589 0.90 MCL1 (0.31) MCL1ACMSD
SCHEMBL25640046 0.90 CYP1A1 (0.34) S1PR4S1PR5ALDH1A1MAPTCYP1A1
SCHEMBL25640389 0.89 CYP1A1 (0.39) S1PR4S1PR5ALDH1A1MAPTCYP1A1
SCHEMBL25640364 0.89 ESR2 (0.30) —

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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