SCHEMBL30516131

SCHEMBL30516131

O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[nH]c(=O)c1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ CYP3A4 P08684 2/20 1.00
▸ TDP1 Q9NUW8 2/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ BRD4 O60885 3/20 0.56
▸ ALOX12 P18054 1/20 0.55
▸ PARP1 P09874 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PPARG P37231 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SOS1 Q07889 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ HIF1A Q16665 1/20 0.48

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
SCHEMBL2583091 1.00 CYP2C9 (1.00) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL30625698 0.91 KDM4E (0.83) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL17273902 0.84 KMT2A (0.70) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL20211622 0.74 MEN1 (0.58) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL15537236 0.74 MEN1 (0.58) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL30516134 0.74 MEN1 (0.58) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL4969510 0.70 PARP1 (1.00) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL18132580 0.70 MAPT (0.73) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL22173221 0.70 MAPT (0.68) CYP2C9MEN1KMT2ACYP3A4TDP1
SCHEMBL25149031 0.70 LMNA (1.00) CYP2C9MEN1KMT2ACYP3A4ALOX12

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
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 — — CN claimed
CN-116585315-A Compositions for modulating PD-1 signaling 奥古斯塔大学研究所公司 2023-08-15 — — CN disclosed
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