SCHEMBL30842140

SCHEMBL30842140

CC(C)(C)OC(=O)Nc1cccc2c1nc1n2CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 6/20 0.42
▸ LMNA P02545 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ THRB P10828 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OGFRL1 Q5TC84 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL31613824 0.99 POLB (0.40) POLBTP53LMNAMAPTTHRB
SCHEMBL31613842 0.96 OPRM1 (0.39) POLBTP53LMNAMAPTTHRB
SCHEMBL31546219 0.81 TP53 (0.41) POLBTP53LMNAMAPTKMT2A
SCHEMBL30842135 0.81 POLB (0.46) POLBTP53LMNAMAPTTHRB
SCHEMBL30842143 0.79 OPRM1 (0.40) LMNAKMT2AOPRM1OPRD1OGFRL1
SCHEMBL30842165 0.79 TP53 (0.47) POLBTP53LMNAMAPTKDM4E
SCHEMBL31613833 0.75 RXFP1 (0.36) POLBLMNAOPRM1OPRD1OGFRL1
SCHEMBL31047350 0.69 TSHR (0.37) LMNAMAPTKMT2AOPRM1OPRD1
SCHEMBL31047351 0.69 TSHR (0.37) LMNAMAPTKMT2AOPRM1OPRD1
SCHEMBL31047343 0.69 OPRM1 (0.43) POLBTP53LMNAOPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4567032-A1 KIF18A INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2025-06-11 — — EP disclosed
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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