SCHEMBL31694098

SCHEMBL31694098

Brc1ccc2c(c1)C(c1ccccc1)CN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.44
CYP3A4 P08684 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 1/20 0.40
DRD1 P21728 6/20 0.40
DRD2 P14416 5/20 0.40
CYP19A1 P11511 1/20 0.39
HSD17B10 Q99714 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DRD5 P21918 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 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
SCHEMBL20850872 0.80 DRD1 (0.43) CYP3A4MEN1KMT2ACYP2D6DRD1
SCHEMBL11547755 0.80 ALOX12 (0.43) CYP3A4MEN1KMT2ACYP2D6DRD1
SCHEMBL8537530 0.80 DRD1 (0.56) CYP3A4MEN1KMT2ACYP2D6DRD1
SCHEMBL8540341 0.80 SLC6A2 (0.42) CYP3A4MEN1KMT2ACYP2D6DRD1
SCHEMBL4001774 0.78 MEN1 (0.52) CYP3A4MEN1KMT2ACYP2D6DRD1
Hydrochloric Acid SCHEMBL11553849 0.77 MEN1 (0.50) CYP3A4MEN1KMT2ACYP2D6DRD1
SCHEMBL14094472 0.75 SIRT2 (0.46) SIRT2MEN1KMT2ACYP19A1HSD17B10
SCHEMBL14094474 0.75 SIRT2 (0.66) SIRT2MEN1KMT2AHSD17B10TP53
SCHEMBL22445693 0.74 CYP3A4 (0.66) CYP3A4MEN1KMT2ACYP2D6DRD1
SCHEMBL12836381 0.73 DRD1 (0.37) CYP3A4MEN1KMT2ACYP2D6DRD1

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
WO-2025201477-A1 SPIROCYCLIC GSDME INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO.,LTD. (CN) 2025-10-02 WO disclosed