SCHEMBL23764445

SCHEMBL23764445

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.37
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ 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

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
SCHEMBL23764134 0.79 — —
SCHEMBL23764477 0.79 — —
SCHEMBL23764130 0.77 SIGMAR1 (0.37) SIGMAR1HDAC8HDAC6PPARGPPARA
SCHEMBL23764267 0.75 SIGMAR1 (0.38) SIGMAR1CA12CA1CA2CA9
SCHEMBL19802460 0.73 SIGMAR1 (0.47) SIGMAR1ALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL23764356 0.72 TYMS (0.30) —
SCHEMBL23764339 0.71 — —
SCHEMBL21028074 0.70 SIGMAR1 (0.47) SIGMAR1ALDH1A1L3MBTL1CYP2C19
SCHEMBL17012315 0.70 TNF (0.41) CA12CA1CA2CA9CRHBP
SCHEMBL19310330 0.69 SIGMAR1 (0.43) 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
Send feedback