SCHEMBL8985609

SCHEMBL8985609

CCN(CC)CCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.57
MAPT P10636 6/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 6/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 2/20 0.48
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
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL12515299 0.92 KAT2B (0.56) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8997016 0.86 KAT2B (0.57) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29504306 0.84 ALDH1A1 (0.65) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL972656 0.84 ALDH1A1 (0.65) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9771628 0.83 KAT2B (0.49) KAT2BMAPTALDH1A1HTTLMNA
SCHEMBL6370241 0.83 CHEK1 (0.60) KAT2BMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4077151 0.82 KAT2B (0.66) KAT2BMAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9771678 0.82 KAT2B (0.51) KAT2BMAPTALDH1A1HTTNPSR1
SCHEMBL4257954 0.82 CHEK1 (0.48) KAT2BMAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6198859 0.82 KAT2B (0.80) KAT2BMAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486629-A Direct dyes having a quaternary center with a long aliphatic chain CLAIROL, INC. (US) 1996-01-23 US disclosed
US-5360930-A Hair dyes; shampoo stable; uniformity CLAIROL INC. (US) 1994-11-01 US disclosed
US-5314505-A Hair dyes, direct dyes with improved affinity for hair CLAIROL, INC. (US) 1994-05-24 US disclosed
US-5298029-A Hair dyes CLAIROL INCORPORATED (US) 1994-03-29 US disclosed
US-5169403-A Washfast hair dyes CLAIROL, INC. 1992-12-08 US disclosed