SCHEMBL7150634

SCHEMBL7150634

Nc1ccc(NC2CCCCNC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.57
CRBN Q96SW2 6/20 0.57
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 2/20 0.45
CCR2 P41597 3/20 0.44
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 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
Hydrochloric Acid SCHEMBL7150025 0.98 DDB1 (0.56) DDB1CRBNALDH1A1KDM4ERAB9A
SCHEMBL18415603 0.84 RAB9A (0.62) ALDH1A1KDM4ERAB9ACCR2NPC1
SCHEMBL20194435 0.84 RAB9A (0.62) ALDH1A1KDM4ERAB9ACCR2NPC1
SCHEMBL10593938 0.84 ALDH1A1 (0.56) DDB1CRBNALDH1A1KDM4ERAB9A
SCHEMBL7142332 0.80 MAPT (0.57) ALDH1A1KDM4ERAB9ACCR2NPC1
SCHEMBL20194480 0.79 RAB9A (0.56) DDB1CRBNALDH1A1RAB9ACCR2
SCHEMBL18415615 0.79 RAB9A (0.56) DDB1CRBNALDH1A1RAB9ACCR2
SCHEMBL5567270 0.78 VEGFA (0.47) ALDH1A1KDM4ERAB9ACCR2NPC1
SCHEMBL12156605 0.77 RAB9A (0.76) DDB1CRBNALDH1A1KDM4ERAB9A
SCHEMBL31730025 0.76 KDM4E (0.60) ALDH1A1KDM4ERAB9ACCR2NPC1

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
US-6630004-B1 Ready-to-use dyeing composition for keratinous fibers comprising, in dyeing medium, oxidizing agent chosen from hydrogen peroxide, urea hydrogen peroxide, alkali metal bromates, persalts and enzymes, and specified oxidation base L'OREAL S.A. (FR) 2003-10-07 US claimed
EP-0908445-B1 Oxidation dyeing composition for keratin fibres containing an amino acid derivative as oxidation base and aminoacid derivatives OREAL (FR) 2001-12-12 EP claimed
US-6630004-B1 Ready-to-use dyeing composition for keratinous fibers comprising, in dyeing medium, oxidizing agent chosen from hydrogen peroxide, urea hydrogen peroxide, alkali metal bromates, persalts and enzymes, and specified oxidation base L'OREAL S.A. (FR) 2003-10-07 US disclosed