SCHEMBL28611443

SCHEMBL28611443

COC(=O)C(Cc1ccccc1)N(C=O)c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PSMB5 P28074 6/20 0.41
▸ PSMB11 A5LHX3 5/20 0.41
▸ PSMA7 O14818 5/20 0.41
▸ PSMB1 P20618 5/20 0.41
▸ PSMA1 P25786 5/20 0.41
▸ PSMA2 P25787 5/20 0.41
▸ PSMA3 P25788 5/20 0.41
▸ PSMA4 P25789 5/20 0.41
▸ PSMB8 P28062 5/20 0.41
▸ PSMB9 P28065 5/20 0.41
▸ PSMA5 P28066 5/20 0.41
▸ PSMB4 P28070 5/20 0.41
▸ PSMB6 P28072 5/20 0.41
▸ PSMB10 P40306 5/20 0.41

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
SCHEMBL28766231 0.89 POLB (0.40) POLBALDH1A1CTSLCYP1A2CYP2C9
SCHEMBL28766234 0.88 PSMB11 (0.41) POLBALDH1A1CTSLCYP1A2CYP2C9
SCHEMBL27872649 0.88 PSMB11 (0.41) POLBALDH1A1CTSLCYP1A2CYP2C9
SCHEMBL28613880 0.87 POLB (0.41) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28614526 0.82 RAB9A (0.46) POLBALDH1A1MEN1KMT2A
SCHEMBL28881741 0.80 ALDH1A1 (0.42) POLBALDH1A1CTSLCYP1A2CYP2C9
SCHEMBL28602834 0.79 SLC7A5 (0.38) CTSLPSMB5PSMB11PSMA7PSMB1
SCHEMBL28767441 0.74 TSHR (0.41) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28256496 0.74 PSMB5 (0.42) POLBALDH1A1CTSLCYP1A2CYP2C9
SCHEMBL28614528 0.71 PPARG (0.47) ALDH1A1CYP2C9ATMCYP3A4CA12

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
CN-106008665-B Compound with tumor proliferation inhibition function and preparation method and application thereof 北京大学 2021-03-16 — — CN disclosed
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