SCHEMBL29318485

SCHEMBL29318485

CNCc1cn2cc(C3CC3)cc(C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
METTL3 Q86U44 1/20 0.33
KLKB1 P03952 4/20 0.33
PDE8B O95263 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MAPK1 P28482 1/20 0.31
CARM1 Q86X55 1/20 0.30

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
SCHEMBL29302469 0.83 PDE8B (0.35) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2
SCHEMBL23139774 0.83 DRD2 (0.36) KDM4EHSD17B10HPGDTP53METTL3
SCHEMBL24738088 0.81 KDM4E (0.34) KDM4EHSD17B10HPGDALDH1A1TP53
SCHEMBL24738135 0.76 CCNA2 (0.33) KDM4ETP53METTL3KLKB1
SCHEMBL24737887 0.76 METTL3 (0.32) KDM4ETP53METTL3KLKB1
SCHEMBL27030315 0.74 KDM4E (0.60) KDM4ETP53METTL3KLKB1
SCHEMBL27029949 0.74 KLKB1 (0.39) KDM4EHSD17B10HPGDALDH1A1TP53
SCHEMBL29302747 0.73 KDM4E (0.38) KDM4EALDH1A1TP53SMN1; SMN2METTL3
Hydrochloric Acid SCHEMBL27030313 0.73 KDM4E (0.58) KDM4ETP53METTL3KLKB1
SCHEMBL29302529 0.73 METTL3 (0.30) METTL3

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
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 EP disclosed