SCHEMBL10925251

SCHEMBL10925251

O=C(c1ccc(F)cc1)c1cc(CBr)on1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ NPC1 O15118 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL10925695 0.84 GSK3B (0.43) NPC1SMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL10925057 0.84 ALDH1A1 (0.57) PTPN1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10932515 0.83 THRB (0.43) THRBLTA4HNPC1SMN1; SMN2RAB9A
SCHEMBL10924399 0.83 THRB (0.46) THRBLTA4HNPC1SMN1; SMN2RAB9A
SCHEMBL10923767 0.81 THRB (0.44) THRBLTA4HNPC1SMN1; SMN2RAB9A
SCHEMBL10926928 0.81 MAPT (0.47) NPC1SMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL10924892 0.76 LMNA (0.51) THRBNPC1SMN1; SMN2RAB9AALDH1A1
Maleic Acid SCHEMBL10926000 0.74 L3MBTL1 (0.42) THRBNPC1SMN1; SMN2RAB9AALDH1A1
Fumaric Acid SCHEMBL10926005 0.74 L3MBTL1 (0.42) THRBNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10927399 0.74 TSHR (0.39) THRBSMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189771-A3 (ISOXAZOL-3-YL)ARYLMETHANONES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-10-08 — — EP disclosed
EP-0189771-A2 (Isoxazol-3-yl)arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-08-06 — — EP disclosed
US-4562187-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY, AGENTS, AND ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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