SCHEMBL4257954

SCHEMBL4257954

CCN(CC)CCNc1ccccc1N[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
PIM1 P11309 1/20 0.48
IDO1 P14902 1/20 0.48
LTK P29376 1/20 0.48
LIMK1 P53667 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
TERT O14746 1/20 0.41
CHRM2 P08172 2/20 0.40
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
MAPT P10636 2/20 0.40
CHRM1 P11229 2/20 0.40
TBXA2R P21731 2/20 0.40
SLC6A2 P23975 2/20 0.40
APEX1 P27695 2/20 0.40
SLC6A4 P31645 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40

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
SCHEMBL8985609 0.82 KAT2B (0.57) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL9771628 0.80 KAT2B (0.49) CHEK1PIM1IDO1LTKLIMK1
Hydrochloric Acid SCHEMBL9771678 0.79 KAT2B (0.51) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL4851735 0.76 KDM4E (0.46) MAPTKAT2BPOLBRAB9AKMT2A
SCHEMBL12515299 0.74 KAT2B (0.56) MAPTKAT2BLMNAHTTRAB9A
SCHEMBL6370241 0.74 CHEK1 (0.60) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL29477145 0.74 MAPT (0.64) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL18066528 0.74 MAPT (0.64) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL10798671 0.72 CHEK1 (0.54) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL11749512 0.72 CHEK1 (0.54) CHEK1PIM1IDO1LTKLIMK1

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-7476260-B2 Disulfide dyes, composition comprising them and method of dyeing hair CIBA SPECIALTY CHEMICALS CORP. (US) 2009-01-13 US disclosed