SCHEMBL24791114

SCHEMBL24791114

c1ccc(N(c2ccc3c(ccc4ccccc43)c2)c2ccc3c(c2)oc2c4ccc(N(c5ccccc5)c5ccc6c(ccc7ccccc76)c5)cc4sc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ HIF1A Q16665 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ HNF4A P41235 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
SCHEMBL23516204 0.93 ESR2 (0.38) ESR2ESR1
SCHEMBL17875609 0.90 ESR2 (0.42) ESR2KDM4EGLAHPGDHSD17B10
SCHEMBL24790832 0.88 ESR2 (0.41) ESR2ESR1
SCHEMBL23515900 0.87 ESR2 (0.38) ESR2ESR1
SCHEMBL22454653 0.87 ESR2 (0.46) ESR2KDM4EHPGDMAPTL3MBTL1
SCHEMBL23516209 0.85 ESR2 (0.39) ESR2TDP1ESR1
SCHEMBL24792897 0.85 ESR2 (0.39) ESR2KDM4EHPGDMAPTESR1
SCHEMBL23516104 0.84 ESR2 (0.37) ESR2ESR1CYP1B1
SCHEMBL23516205 0.84 ESR2 (0.40) ESR2HPGDHSD17B10HTTTDP1
SCHEMBL23348099 0.84 CYP1A1 (0.34) ESR2KDM4EGLAHPGDHSD17B10

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-2022262310-A1 METHOD FOR SYNTHESIZING BTBF AROMATIC AMINE DERIVATIVES 广东阿格蕾雅光电材料有限公司 2022-12-22 — — WO disclosed
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