SCHEMBL30291869

SCHEMBL30291869

CN(C)c1ccc2c(-c3c(Cl)c(C(=O)[O-])cc(Cl)c3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ P2RY6 Q15077 1/20 0.55
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CA9 Q16790 3/20 0.45
▸ ITPR1 Q14643 1/20 0.44
▸ P2RY2 P41231 1/20 0.44
▸ SLC5A2 P31639 3/20 0.42
▸ HTR3A P46098 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL10293845 0.87 MEN1 (0.59) MEN1BLMKMT2ATHRBRECQL
SCHEMBL10293818 0.86 MEN1 (0.62) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25343641 0.80 P2RY6 (0.65) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL29838750 0.80 P2RY6 (0.67) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL13815486 0.80 P2RY6 (0.67) MEN1BLMKMT2ATHRBRECQL
SCHEMBL31756958 0.79 P2RY6 (0.69) MEN1BLMKMT2ATHRBRECQL
SCHEMBL22204520 0.79 P2RY6 (0.69) MEN1BLMKMT2ATHRBRECQL
SCHEMBL20200017 0.79 P2RY6 (0.66) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL29587824 0.79 P2RY6 (0.66) MEN1BLMKMT2ATHRBRECQL
Tetramethylrhodamine SCHEMBL30091907 0.79 P2RY6 (0.66) MEN1BLMKMT2ATHRBRECQL

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
WO-2022263638-A1 ANTI-SARS-COV-2 ANTIBODIES AND USE THEREOF IN THE TREATMENT OF SARS-COV-2 INFECTION CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS (C.H.U.V.) (CH) 2022-12-22 — — WO claimed
WO-2022263638-A1 ANTI-SARS-COV-2 ANTIBODIES AND USE THEREOF IN THE TREATMENT OF SARS-COV-2 INFECTION CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS (C.H.U.V.) (CH) 2022-12-22 — — WO disclosed
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