SCHEMBL20808952

SCHEMBL20808952

Cn1c(=O)n(CC(N)=O)c(=O)c2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TRPA1 O75762 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AKR1A1 P14550 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ PARG Q86W56 5/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL20808953 0.84 TSHR (0.46) EGLN1LMNATRPA1ALDH1A1TSHR
SCHEMBL20786948 0.82 KDM4E (0.54) LMNAKDM4EALDH1A1TSHRPARG
SCHEMBL20808950 0.82 EGLN1 (0.45) EGLN1HSD17B10TSHRAKR1A1AKR1B1
SCHEMBL20808707 0.78 EGLN1 (0.48) EGLN1HSD17B10TSHRAKR1A1AKR1B1
SCHEMBL20786900 0.78 EGLN1 (0.52) EGLN1ALDH1A1TSHRAKR1A1AKR1B1
SCHEMBL20786896 0.77 EGLN1 (0.41) EGLN1LMNAHSD17B10ALDH1A1TSHR
SCHEMBL31559468 0.76 HSD17B10 (0.47) EGLN1HSD17B10KDM4EALDH1A1
SCHEMBL20786876 0.76 EGLN1 (0.40) EGLN1LMNAHSD17B10TSHRPARG
SCHEMBL20786885 0.74 NPSR1 (0.41) NPSR1LMNAHSD17B10KDM4EALDH1A1
SCHEMBL20786973 0.73 PLK1 (0.41) EGLN1HSD17B10ALDH1A1PARGTNF

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
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 — — EP disclosed
EP-3453707-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai de Novo Pharmatech Co., Ltd. (CN) 2019-03-13 — — EP disclosed
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