SCHEMBL29138447

SCHEMBL29138447

Nc1cncc(Br)c1OCCCBr

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.31

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
SCHEMBL24815934 0.72 NPC1 (0.33)
SCHEMBL31229472 0.71 PLAU (0.38) KLK1
Hydrochloric Acid SCHEMBL31228996 0.69 KDM4E (0.39) KLK1
SCHEMBL10272841 0.67 CYP11B1 (0.34) KLK1
SCHEMBL12370664 0.65 KLK1 (0.44) KLK1
SCHEMBL20482100 0.65 SMN1; SMN2 (0.39) KLK1
SCHEMBL8350687 0.63 KLK1 (0.35) KLK1
SCHEMBL10272842 0.63 CHRNB2 (0.53)
SCHEMBL17841557 0.63 CHRNB2 (0.44)
SCHEMBL857201 0.62

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-117355531-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-05 CN disclosed