SCHEMBL30642272

SCHEMBL30642272

COc1cc(Cl)c(-c2ccccc2Cl)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ NPY2R P49146 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SUV39H2 Q9H5I1 2/20 0.43
▸ STS P08842 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ EED O75530 1/20 0.42

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
SCHEMBL16117937 1.00 POLB (0.54) POLBNPY2RALDH1A1HPGDMEN1
SCHEMBL16099343 0.85 ALDH1A1 (0.50) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL26764213 0.85 ALDH1A1 (0.62) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL16101994 0.85 POLB (0.51) POLBNPY2RALDH1A1HPGDMEN1
SCHEMBL17643349 0.83 ALDH1A1 (0.47) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL16099940 0.83 ALDH1A1 (0.47) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL17643511 0.82 RXFP1 (0.60) POLBALDH1A1HPGDMEN1KMT2A
SCHEMBL16117954 0.81 POLB (0.53) POLBNPY2RALDH1A1HPGDMEN1
SCHEMBL28038271 0.81 POLB (0.53) POLBNPY2RALDH1A1HPGDMEN1
SCHEMBL1461421 0.80 HTT (0.69) POLBNPY2RALDH1A1HTTTSHR

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
US-RE50527-E1 Covalent inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-08-12 — — US disclosed
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 — — EP disclosed
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