SCHEMBL30305564

SCHEMBL30305564

O=C(Cl)c1cc2cccc(Cl)c2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.57
DAO P14920 1/20 0.56
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PYGL P06737 1/20 0.44
PYGM P11217 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
APEX1 P27695 1/20 0.43
MAP3K5 Q99683 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PLCG2 P16885 1/20 0.40

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
SCHEMBL1144741 0.86 HPGD (0.60) HRH4DAOCA12CA9CDK1
SCHEMBL30310556 0.84 HRH4 (0.56) HRH4DAOCA12CA9CDK1
SCHEMBL27337665 0.84 HRH4 (0.59) HRH4DAOCA12CA9CDK1
SCHEMBL29063451 0.84 HRH4 (0.56) HRH4DAOCA12CA9CDK1
SCHEMBL24896461 0.80 HRH4 (0.56) HRH4DAOCA12CA9CDK1
SCHEMBL31392795 0.80 KDM4E (0.58) HRH4DAOCA12CA9CDK1
SCHEMBL6171590 0.80 MEN1 (0.56) HRH4DAOCA12CA9CDK1
SCHEMBL24740173 0.80 HRH4 (0.56) HRH4DAOCA12CA9CDK1
SCHEMBL16236158 0.80 HRH4 (0.56) HRH4DAOCA12CA9CDK1
SCHEMBL23835756 0.80 HRH4 (0.56) HRH4DAOCA12CA9CDK1

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
WO-2023044509-A1 PROCESS FOR MAKING CYSTEINE PROTEASE INHIBITORS AND COMPOUNDS PROVIDED BY THAT PROCESS Pardes Biosciences, Inc. (US) 2023-03-23 WO disclosed