SCHEMBL30956100

SCHEMBL30956100

O=P(Cc1coc2ccc(C(F)(F)F)cc12)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PPARD Q03181 3/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HTT P42858 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ PSMB5 P28074 1/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ TNF P01375 2/20 0.36
▸ ACP3 P15309 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL30956065 0.87 KMT2A (0.43) TP53MAPTSMN1; SMN2MAOBHTT
SCHEMBL21116465 0.77 TP53 (0.46) TP53MAPTSMN1; SMN2PPARDMAOB
SCHEMBL16619764 0.74 TP53 (0.43) TP53MAPTSMN1; SMN2PPARDMAOB
SCHEMBL17107455 0.74 MAOB (0.44) TP53MAPTSMN1; SMN2PPARDMAOB
SCHEMBL18015849 0.72 MTNR1A (0.45) TP53MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL21116466 0.72 TP53 (0.46) TP53MAPTSMN1; SMN2MAOBMTNR1B
SCHEMBL18014739 0.72 TP53 (0.41) TP53MAPTSMN1; SMN2PPARDMAOB
SCHEMBL30956101 0.70 KDM4E (0.60) MAPTHTTALDH1A1HPGDMEN1
SCHEMBL11819605 0.70 NPC1 (0.49) TP53MAPTSMN1; SMN2MAOBALDH1A1
SCHEMBL17324189 0.68 MTNR1A (0.40) TP53MAPTSMN1; SMN2PPARDMAOB

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
CN-118005692-A Preparation of benzofuran derivative by initiating free radical reaction by superelectron donor with heteroatom as center and application 贵州大学 2024-05-10 — — CN disclosed
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