SCHEMBL10926928

SCHEMBL10926928

COc1ccc(C(=O)c2cc(CBr)on2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL10925655 0.84 MAPT (0.52) MAPTLMNARAB9AMAPK1MEN1
SCHEMBL10926206 0.84 ALDH1A1 (0.43) MAPTLMNARAB9AMAPK1MEN1
SCHEMBL10925695 0.81 GSK3B (0.43) MAPTRAB9AMAPK1MEN1KMT2A
SCHEMBL10925251 0.81 THRB (0.44) MAPTLMNARAB9AMAPK1MEN1
SCHEMBL10925057 0.80 ALDH1A1 (0.57) MAPTRAB9AMAPK1MEN1KMT2A
SCHEMBL6402530 0.77 KMT2A (0.54) LMNARAB9AMEN1KMT2ANPSR1
SCHEMBL5243287 0.73 MRGPRX4 (0.51) MAPTRAB9AMAPK1ALDH1A1HPGD
SCHEMBL1566524 0.73 SMN1; SMN2 (0.63) MAPTLMNARAB9AKMT2AALDH1A1
SCHEMBL5591858 0.72 RAB9A (0.65) MAPTLMNARAB9AMAPK1MEN1
SCHEMBL18666819 0.71 VNN1 (0.52) MAPTLMNARAB9AMAPK1MEN1

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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