SCHEMBL24248436

SCHEMBL24248436

Bc1ccc2c(=O)n(CC(N)=O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.45
▸ ITGA2B P08514 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PSMB1 P20618 2/20 0.35
▸ PSMB5 P28074 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TNF P01375 2/20 0.34
▸ GRM2 Q14416 1/20 0.34

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
SCHEMBL20808938 0.82 PSMB1 (0.48) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL20808748 0.82 LMNA (0.46) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL21025554 0.79 ITGB3 (0.42) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL1687421 0.78 KDM4E (0.57) KDM4EKMT2ANLRP3ALDH1A1POLB
SCHEMBL20786908 0.69 ITGB3 (0.51) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL31306252 0.69 ITGB3 (0.51) ITGB3ITGA2BKDM4EKMT2ANLRP3
SCHEMBL1590065 0.67 PARP1 (0.65) KDM4EALDH1A1LMNAL3MBTL1CYP3A4
SCHEMBL19145535 0.66 KMT2A (0.60) ITGB3ITGA2BKMT2A
SCHEMBL20808986 0.66 LMNA (0.44) ITGB3ITGA2BKDM4EKMT2ALMNA
SCHEMBL20808984 0.66 LMNA (0.52) KDM4EKMT2ANLRP3ALDH1A1POLB

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
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 — — EP disclosed
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