SCHEMBL30676407

SCHEMBL30676407

COC(=O)c1nn(C2CCC(F)(F)C2)c2ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 14/20 0.52
▸ TEAD1 P28347 1/20 0.42
▸ TEAD4 Q15561 1/20 0.42
▸ TEAD2 Q15562 1/20 0.42
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ F2 P00734 4/20 0.36
▸ PLAU P00749 4/20 0.36
▸ CTRB1 P17538 2/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ NR4A2 P43354 1/20 0.33

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
SCHEMBL29122154 1.00 ELANE (0.52) ELANETEAD1TEAD4TEAD2KDM5A
SCHEMBL29122837 0.85 ELANE (0.58) ELANEL3MBTL1F2PLAUCTRB1
SCHEMBL29121783 0.83 ELANE (0.56) ELANEL3MBTL1F2PLAUCTRB1
SCHEMBL29121981 0.83 ELANE (0.56) ELANEL3MBTL1F2PLAUCTRB1
SCHEMBL28191160 0.82 ELANE (0.55) ELANE
SCHEMBL29121714 0.82 L3MBTL1 (0.41) ELANETEAD1TEAD4TEAD2L3MBTL1
SCHEMBL29121557 0.81 ELANE (0.53) ELANEKDM4CL3MBTL1F2PLAU
SCHEMBL27514507 0.81 ELANE (0.53) ELANEL3MBTL1F2PLAUCTRB1
SCHEMBL30676733 0.81 ELANE (0.53) ELANEKDM4CL3MBTL1F2PLAU
SCHEMBL29122779 0.79 TEAD1 (0.47) TEAD1TEAD4TEAD2KDM5AKDM4C

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-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN disclosed
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