SCHEMBL25640430

SCHEMBL25640430

c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3sc4ccc5c6ccc7ccccc7c6oc5c4c3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.33
▸ MAPT P10636 7/20 0.33
▸ HPGD P15428 6/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ ALDH1A1 P00352 8/20 0.32
▸ CYP1A1 P04798 4/20 0.32
▸ CYP1A2 P05177 4/20 0.32
▸ CYP1B1 Q16678 4/20 0.32
▸ TP53 P04637 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP19A1 P11511 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
SCHEMBL25640399 0.96 DUSP3 (0.32) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL25640460 0.92 CYP1A1 (0.36) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL25640449 0.92 MMP12 (0.32) KDM4EMAPTHPGDHSD17B10TSHR
SCHEMBL25640132 0.92 TDP1 (0.34) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL25640645 0.92 DUSP3 (0.32) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL25640426 0.91 CYP1A1 (0.34) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL25640340 0.90 LMNA (0.33) KDM4EMAPTHPGDHSD17B10L3MBTL1
SCHEMBL25640431 0.89 CYP1A2 (0.34) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL15852630 0.89 KDM4E (0.36) KDM4EMAPTHPGDHSD17B10HTT
SCHEMBL25640075 0.89 L3MBTL1 (0.33) KDM4EMAPTHPGDHSD17B10HTT

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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