SCHEMBL6069260

SCHEMBL6069260

CC(Cn1ncc(N)c1N1CCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
APAF1 O14727 5/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.40
ADORA1 P30542 5/20 0.37
GAA P10253 3/20 0.34
RAB9A P51151 2/20 0.34
ADORA2A P29274 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
NPC1 O15118 1/20 0.33
P2RX3 P56373 1/20 0.33
SRC P12931 1/20 0.33

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
SCHEMBL14445243 0.78 KMO (0.49) KMOAPAF1POLBLMNA
SCHEMBL6068485 0.78 SRC (0.32) ADORA1SRC
SCHEMBL6068852 0.70 PLAU (0.33) KMOPOLBGAALNPEP
SCHEMBL6068787 0.69
SCHEMBL5425006 0.68 GABRR1 (0.40) KMOAPAF1POLBLMNA
SCHEMBL6068673 0.68 SIGMAR1 (0.35) GAARAB9A
SCHEMBL6068489 0.68 SMPD3 (0.33) RAB9ANPC1
SCHEMBL14801000 0.68 PIM1 (0.51)
SCHEMBL6068725 0.67
SCHEMBL5416095 0.66 KMO (0.37) KMOAPAF1POLBLMNAALDH1A1

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
US-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed