SCHEMBL22925977

SCHEMBL22925977

Brc1ncc(-c2ccc(C3CC3)cc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
HDAC4 P56524 3/20 0.43
CYP2C9 P11712 1/20 0.43
NOTUM Q6P988 3/20 0.41
NPC1 O15118 5/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL29620936 0.80 PDE2A (0.33) CA12CA1CA2CA9HDAC4
SCHEMBL22925544 0.80 PDE2A (0.33) CA12CA1CA2CA9HDAC4
SCHEMBL12498922 0.76 CA12 (0.61) CA12CA1CA2CA9HDAC4
SCHEMBL16090371 0.74 TSHR (0.59) HDAC4CYP2C9NOTUMNPC1MAPT
SCHEMBL22925776 0.70 TRPV1 (0.46) CYP2C9NOTUMNPC1MAPTRAB9A
SCHEMBL31288126 0.70 PTPN1 (0.55) HDAC4NPC1MAPTRAB9ATSHR
SCHEMBL32669097 0.68 CA12 (0.39) CA12CA1CA2CA9HDAC4
SCHEMBL32669136 0.68 NOTUM (0.56) CA12CA1CA2CA9HDAC4
SCHEMBL22926092 0.68 HPGDS (0.43) CA12CA1CA2CA9HDAC4
SCHEMBL22925984 0.68 NOTUM (0.56) HDAC4CYP2C9NOTUMNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed