SCHEMBL30516134

SCHEMBL30516134

O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2oc(=O)c3ccccc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ CYP2C9 P11712 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ ALOX12 P18054 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ LMNA P02545 1/20 0.53
▸ PPARG P37231 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HIF1A Q16665 1/20 0.48
▸ SOS1 Q07889 1/20 0.48
▸ ALDH1A1 P00352 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
SCHEMBL20211622 1.00 MEN1 (0.58) MEN1KMT2ACYP2C9KDM4ECYP3A4
SCHEMBL30625697 0.91 TP53 (0.55) MEN1KMT2ACYP2C9KDM4ECYP3A4
SCHEMBL12192038 0.74 TRPV1 (0.52) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL30516131 0.74 CYP2C9 (1.00) MEN1KMT2ACYP2C9KDM4ECYP3A4
SCHEMBL2583091 0.74 CYP2C9 (1.00) MEN1KMT2ACYP2C9KDM4ECYP3A4
SCHEMBL7931362 0.74 KMT2A (0.52) MEN1KMT2ACYP2C9KDM4ECYP1A2
SCHEMBL15537236 0.71 MEN1 (0.58) MEN1KMT2ACYP2C9KDM4ECYP3A4
SCHEMBL10082377 0.71 KDM4E (0.47) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL11564630 0.71 MAOB (0.71) KDM4ETDP1CYP1A2MAPTMAPK1
SCHEMBL25149031 0.70 LMNA (1.00) MEN1KMT2ACYP2C9CYP3A4ALOX12

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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