SCHEMBL23764130

SCHEMBL23764130

C/C=N\C=C(/C)N(c1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1)c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.37
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ PPARG P37231 3/20 0.30
▸ PPARA Q07869 3/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PPARD Q03181 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
SCHEMBL23764445 0.77 SIGMAR1 (0.37) SIGMAR1HDAC8HDAC6PPARGPPARA
SCHEMBL23764267 0.75 SIGMAR1 (0.38) SIGMAR1PPARGPPARACYP2C9CYP2C19
SCHEMBL23764427 0.74 — —
SCHEMBL17012315 0.68 TNF (0.41) HDAC8HDAC6ALDH1A1HPGDTSHR
SCHEMBL16201003 0.66 CRHBP (0.44) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL14010646 0.66 ALDH1A1 (0.41) SIGMAR1ALDH1A1HPGDTSHRMAPK1
SCHEMBL17012309 0.65 ALDH1A1 (0.33) HDAC8HDAC6ALDH1A1HPGDTSHR
SCHEMBL18174843 0.65 CYP1A2 (0.40) SIGMAR1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL17012306 0.65 TNF (0.41) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL25555640 0.65 SIGMAR1 (0.45) SIGMAR1ALDH1A1L3MBTL1CYP2C9CYP2C19

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-2907803-B1 FLUORANTHENE DERIVATIVE, LUMINESCENT ELEMENT MATERIAL CONTAINING SAME, AND LUMINESCENT ELEMENT TORAY INDUSTRIES (JP) 2021-08-18 — — EP disclosed
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