SCHEMBL31316076

SCHEMBL31316076

O=[N+]([O-])c1ccc(I)cc1N1CCC2(CC1)CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.50
▸ ALDH1A1 P00352 10/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ LMNA P02545 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ ALDH1A3 P47895 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ AR P10275 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ CYP2C9 P11712 2/20 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
SCHEMBL26646247 1.00 MAPT (0.50) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL22121152 0.82 MAPT (0.50) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL27038634 0.79 MAPT (0.50) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL25027163 0.79 MAPT (0.53) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL26618087 0.76 KIF18A (0.47) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL30642990 0.76 KIF18A (0.47) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL26151092 0.74 LMNA (0.47) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL26646327 0.73 GAA (0.42) MAPTALDH1A1L3MBTL1LMNAPOLB
SCHEMBL23043706 0.73 HTR1A (0.60) MAPTALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL26646367 0.73 FFAR4 (0.34) —

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
WO-2025036479-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2025-02-20 — — WO disclosed
CN-119156382-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-17 — — CN disclosed
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