SCHEMBL29591394

SCHEMBL29591394

ClCc1coc2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MAOB P27338 5/20 0.36
▸ MAOA P21397 4/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL21954375 1.00 PTPN1 (0.46) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL17378987 0.85 MAPT (0.38) PTPN1ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL9844197 0.83 PTPN1 (0.47) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL9843978 0.81 HTT (0.47) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL15898858 0.79 PTPN1 (0.47) PTPN1ALDH1A1HTTMAPTHTR1A
SCHEMBL8189977 0.79 ALDH1A1 (0.45) PTPN1ALDH1A1HTTHTR1AHTR1D
SCHEMBL8950172 0.79 HTR1A (0.59) PTPN1ALDH1A1HTTHTR1AHTR1D
SCHEMBL6608694 0.78 PTPN1 (0.46) PTPN1HTTKMT2AHTR1AHTR1D
SCHEMBL8950321 0.77 CSNK2A1 (0.50) PTPN1ALDH1A1HTTMEN1MAPT
SCHEMBL21591484 0.76 MAPT (0.44) PTPN1ALDH1A1HTTMAPTMAOB

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-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 — — CN disclosed
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