SCHEMBL29909305

SCHEMBL29909305

Brc1ccc(C2CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
HDAC4 P56524 1/20 0.36
CYP11B2 P19099 1/20 0.35
ESR2 Q92731 2/20 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
SCHEMBL1655533 1.00 TRPV6 (0.42) TRPV6KDM4EGLAHTTKMT2A
SCHEMBL25702645 0.90 KDM4E (0.54) TRPV6KDM4EGLAHTTKMT2A
SCHEMBL31469673 0.86 KDM4E (0.37) TRPV6KDM4EGLAHTTKMT2A
SCHEMBL28697696 0.86 KDM4E (0.37) TRPV6KDM4EGLAHTTKMT2A
Hydrochloric Acid SCHEMBL28697863 0.84 KDM4E (0.36) TRPV6KDM4EGLAHTTKMT2A
SCHEMBL24567826 0.83 QDPR (0.47) TRPV6CHRNB2CHRNA4
SCHEMBL31536280 0.83 QDPR (0.47) TRPV6CHRNB2CHRNA4
SCHEMBL30945274 0.81 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL25326519 0.81 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL23517959 0.81 CHRNB2 (0.33) TRPV6KDM4EGLAHTTKMT2A

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-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed