SCHEMBL31295875

SCHEMBL31295875

Cn1cc(Br)c(=O)c(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SCN9A Q15858 2/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ RORB Q92753 1/20 0.39

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
SCHEMBL11547968 1.00 BRD9 (0.42) BRD9TGFBR1ALOX15ALOX12SCN9A
SCHEMBL11433951 0.90 BRD9 (0.46) BRD9TGFBR1ALOX15ALOX12SCN9A
SCHEMBL11435071 0.88 BRD9 (0.44) BRD9TGFBR1ALOX15ALOX12SCN9A
SCHEMBL11428480 0.87 MAOB (0.41) BRD9ALOX15ALOX12SCN9AAKR1C3
SCHEMBL11442564 0.86 KDM4E (0.42) BRD9TGFBR1ALOX15ALOX12SCN9A
SCHEMBL11439976 0.86 KCNA3 (0.39) BRD9TGFBR1ALOX15ALOX12SCN9A
Fluridone SCHEMBL6751451 0.86 BRD9 (0.43) BRD9TGFBR1ALOX15ALOX12SCN9A
Fluridone SCHEMBL54579 0.86 BRD9 (0.43) BRD9TGFBR1ALOX15ALOX12SCN9A
SCHEMBL11426704 0.84 BRD9 (0.43) BRD9TGFBR1ALOX15ALOX12SCN9A
SCHEMBL11425957 0.84 KCNA3 (0.43) BRD9TGFBR1ALOX15ALOX12SCN9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118915-A Preparation method of stable isotope labeled fluroxypyr internal standard reagent 谱同生物医药科技(常州)有限公司 2024-12-13 — — CN claimed
CN-119118915-A Preparation method of stable isotope labeled fluroxypyr internal standard reagent 谱同生物医药科技(常州)有限公司 2024-12-13 — — CN disclosed
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