SCHEMBL7374036

SCHEMBL7374036

CCCc1cc2c(C(C)=O)cccn2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
TP53 P04637 4/20 0.36
EGFR P00533 1/20 0.35
MAP4K4 O95819 1/20 0.35
ABL1 P00519 1/20 0.35
MAPK8 P45983 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK7 P50613 1/20 0.35
TYRO3 Q06418 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL2963981 0.87 KDM4E (0.36) KDM4EALDH1A1LMNAHTTTP53
SCHEMBL3222485 0.77 DHODH (0.40) KDM4EALDH1A1EGFR
SCHEMBL2963896 0.75 HSP90AB1 (0.35) ALDH1A1NPC1RAB9ATP53EGFR
SCHEMBL3460245 0.73 DHODH (0.41) KDM4EALDH1A1HTTPOLBMAPT
SCHEMBL2968749 0.71 CRACR2A (0.40) KDM4ENPC1RAB9ATP53MAP4K4
SCHEMBL3459213 0.71 KDM5A (0.38) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13266060 0.71 PARP1 (0.33) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL13326891 0.70 TSHR (0.46) KDM4EALDH1A1GAAHPGDNPSR1
SCHEMBL13266037 0.69 MIF (0.35) ALDH1A1MEN1KMT2ANPSR1MIF
SCHEMBL7381477 0.68 NPC1 (0.48) KDM4EALDH1A1LMNAHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368343-B1 AMELIORATING COMPOSITION FOR DYSMNESIA KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1993-06-30 EP disclosed
US-4990516-A Pyrazolo (1,5-a)pyridine derivatives KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1991-02-05 US disclosed
EP-0368343-A2 Ameliorating composition for dysmnesia KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-16 EP disclosed