SCHEMBL9151166

SCHEMBL9151166

O=C(c1ccc(-c2ccc(CBr)cc2)cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.59
▸ MAPT P10636 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ CHEK2 O96017 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 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
SCHEMBL7016688 0.95 SRD5A2 (0.64) SRD5A2MAPTRAB9ACHEK2HPGD
SCHEMBL7264267 0.86 SRD5A2 (0.55) SRD5A2MAPTRAB9AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9148032 0.82 SRD5A2 (0.55) SRD5A2MAPTRAB9ACHEK2HPGD
SCHEMBL9496067 0.81 SRD5A2 (0.79) SRD5A2MAPTRAB9ACHEK2HPGD
SCHEMBL9151949 0.80 SRD5A2 (0.64) SRD5A2MAPTRAB9ACHEK2HPGD
SCHEMBL7871642 0.78 SRD5A2 (0.70) SRD5A2MAPTRAB9ACHEK2HPGD
SCHEMBL21550015 0.78 ALDH1A1 (0.46) SRD5A2MAPTRAB9AHPGDPPARG
SCHEMBL1744667 0.77 SRD5A2 (0.57) SRD5A2MAPTRAB9AHPGDALDH1A1
SCHEMBL8047821 0.77 SRD5A2 (0.57) SRD5A2CHEK2HPGDTSHRHTT
SCHEMBL2003220 0.77 SRD5A2 (0.42) SRD5A2MAPTHPGDPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0464465-B1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation HOFFMANN LA ROCHE (CH) 1995-01-11 — — EP disclosed
US-5239084-A Chmical intermeidates for fungicides, mycosis HOFFMANN-LA ROCHE INC. (US) 1993-08-24 — — US disclosed
US-5177067-A Fungicides HOFFMANN-LAROCHE INC. (US) 1993-01-05 — — US disclosed
EP-0464465-A1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 — — EP disclosed
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