SCHEMBL30489128

SCHEMBL30489128

Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)cc1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 8/20 0.84
TDP1 Q9NUW8 2/20 0.84
MAPT P10636 3/20 0.73
MEN1 O00255 1/20 0.73
CACNA1B Q00975 1/20 0.73
APBA1 Q02410 1/20 0.73
KMT2A Q03164 1/20 0.73
PAX8 Q06710 1/20 0.73
SAE1 Q9UBE0 1/20 0.73
UBA2 Q9UBT2 1/20 0.73
TP53 P04637 1/20 0.72
UCK2 Q9BZX2 1/20 0.68

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
SCHEMBL15078006 0.74 TP53 (0.77) POLBTDP1MAPTTP53
SCHEMBL7506789 0.69 L3MBTL1 (0.54) TDP1MAPTMEN1KMT2ATP53
SCHEMBL13253112 0.67 KMT2A (0.81) POLBTDP1MAPTMEN1KMT2A
SCHEMBL14680333 0.65 POLB (0.51) POLBTDP1MAPTTP53
SCHEMBL7500631 0.62 MAPT (0.52) POLBTDP1MAPTMEN1KMT2A
SCHEMBL23657914 0.60 TDP1 (0.85) POLBTDP1MAPTMEN1KMT2A
SCHEMBL1528709 0.60 MAPT (0.62) POLBTDP1MAPTMEN1KMT2A
SCHEMBL14627781 0.59 MAPT (0.54) POLBTDP1MAPTMEN1KMT2A
SCHEMBL28407262 0.59 POLB (0.54) POLBTDP1MAPTMEN1KMT2A
SCHEMBL14208824 0.59 NPC1 (0.69) POLBMAPTMEN1KMT2ATP53

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-112939947-B PARP7 small molecule inhibitor compound and application thereof 中国医科大学 2023-07-18 CN disclosed