SCHEMBL30842135

SCHEMBL30842135

O=C(O)Nc1cccc2c1nc1n2CCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ TP53 P04637 8/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL30842165 0.87 TP53 (0.47) POLBLMNAMAPTTP53NPC1
SCHEMBL31613824 0.82 POLB (0.40) POLBLMNAMAPTTHRBTP53
SCHEMBL30842140 0.81 POLB (0.42) POLBLMNAMAPTTHRBTP53
SCHEMBL30842151 0.79 KMT2A (0.49) LMNAMAPTTP53SMN1; SMN2KMT2A
SCHEMBL31613842 0.78 OPRM1 (0.39) POLBLMNAMAPTTHRBTP53
SCHEMBL31546212 0.73 KIF18A (0.49) —
SCHEMBL31546213 0.73 POLB (0.50) POLBLMNAMAPTTHRBTP53
SCHEMBL31546226 0.73 POLB (0.50) POLBLMNAMAPTTHRBTP53
SCHEMBL31546227 0.72 KIF18A (0.49) —
SCHEMBL31037921 0.72 TP53 (0.36) POLBLMNAMAPTTHRBTP53

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-2024051755-A1 KIF18A INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF 长春金赛药业有限责任公司 2024-03-14 — — WO disclosed
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