SCHEMBL25409658

SCHEMBL25409658

O=C(O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.52
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CCR2 P41597 2/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGER4 P35408 2/20 0.50
RECQL P46063 1/20 0.49
HCAR3 P49019 1/20 0.46
P2RY14 Q15391 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
NR4A2 P43354 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
SCHEMBL30614151 1.00 KMO (0.52) KMOPOLBTDP1L3MBTL1CCR2
SCHEMBL28312593 0.90 RECQL (0.60) KMOPOLBTDP1L3MBTL1CCR2
SCHEMBL30614139 0.87 HDAC1 (0.50) KMOKMT2ASMN1; SMN2PTGER4P2RY14
SCHEMBL30614200 0.86 KMT2A (0.55) KMOKMT2ASMN1; SMN2PTGER4P2RY14
SCHEMBL25413767 0.86 KMT2A (0.55) KMOKMT2ASMN1; SMN2PTGER4P2RY14
SCHEMBL30614165 0.85 EPHX2 (0.52) POLBTDP1L3MBTL1PTGER4RECQL
SCHEMBL25413232 0.85 EPHX2 (0.52) POLBTDP1L3MBTL1PTGER4RECQL
SCHEMBL25411738 0.82 HCAR3 (0.49) SMN1; SMN2PTGER4RECQLHCAR3
SCHEMBL25412098 0.82 HCAR3 (0.63) CCR2KMT2APTGER4HCAR3P2RY14
SCHEMBL25411542 0.82 PTGER4 (0.52) PTGER4P2RY14NR4A2

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-2023177249-A1 NOVEL BINARY HISTONE DEACETYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 숙명여자대학교산학협력단 2023-09-21 WO disclosed