SCHEMBL9692001

SCHEMBL9692001

CCOC(=O)CCCN(CCBr)CCC1COc2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 2/20 0.38
ALOX5 P09917 1/20 0.38
DRD2 P14416 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOTUM Q6P988 1/20 0.35
TP53 P04637 3/20 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
SCHEMBL9691841 0.80 KDM4E (0.45) MALT1KDM4EALDH1A1MAPTDRD2
SCHEMBL9692276 0.79 MALT1 (0.48) MALT1TP53
SCHEMBL9240649 0.75 MALT1 (0.48) MALT1MEN1KMT2ATP53
SCHEMBL9690387 0.72 MALT1 (0.42) MALT1DRD2MEN1KMT2ATP53
Hydrochloric Acid SCHEMBL9242623 0.72 TP53 (0.44) MALT1ALDH1A1TP53
SCHEMBL8301033 0.71 NAMPT (0.49) ALDH1A1ALOX5NAMPTNOTUM
SCHEMBL9690389 0.69 MALT1 (0.48) MALT1ALOX5DRD2TP53
SCHEMBL9690310 0.69 ALDH1A1 (0.49) KDM4EALDH1A1DRD2L3MBTL1KMT2A
SCHEMBL17443379 0.69 TP53 (0.55) MAPTTP53
SCHEMBL9425674 0.69 MAPT (0.44) MALT1MAPTTP53

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
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed