SCHEMBL30842151

SCHEMBL30842151

O=C(O)Nc1cccc2nc3n(c12)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ TP53 P04637 5/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ CFTR P13569 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ HKDC1 Q2TB90 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GOPC Q9HD26 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43

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
SCHEMBL31546219 0.82 TP53 (0.41) KMT2AMEN1HDAC6TP53ALDH1A1
SCHEMBL30842135 0.79 POLB (0.46) KMT2AMEN1HDAC6TP53ALDH1A1
SCHEMBL11636317 0.75 MEN1 (0.52) KMT2AMEN1HDAC6TP53ALDH1A1
SCHEMBL31546239 0.73 KIF18A (0.46) TP53
SCHEMBL11197675 0.73 MEN1 (0.50) KMT2AMEN1HDAC6ALDH1A1KDM4E
SCHEMBL31546229 0.73 MEN1 (0.50) KMT2AMEN1HDAC6ALDH1A1KDM4E
SCHEMBL14800043 0.71 TP53 (0.57) KMT2AMEN1TP53ALDH1A1KDM4E
SCHEMBL3999493 0.71 BCHE (0.45) KMT2AMEN1HDAC6TP53ALDH1A1
SCHEMBL5511965 0.67 MEN1 (0.97) KMT2AMEN1HDAC6ALDH1A1KDM4E
SCHEMBL29618881 0.67 MEN1 (0.97) KMT2AMEN1HDAC6ALDH1A1KDM4E

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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