SCHEMBL7612236

SCHEMBL7612236

Cn1nc(N2CCCC2)ccc1=NN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HRH4 Q9H3N8 4/20 0.37
CYP1A2 P05177 1/20 0.36
UBE2T Q9NPD8 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNA7 P36544 1/20 0.34
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 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
SCHEMBL5327227 0.71 HRH3 (0.48) HTTSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL10061231 0.68
SCHEMBL15886127 0.66 HTT (0.44) HTTSMN1; SMN2ALDH1A1MAPK1HRH4
SCHEMBL22279103 0.66 SMN1; SMN2 (0.47) HTTSMN1; SMN2HRH4CYP1A2HSD17B10
SCHEMBL15886057 0.64 HTT (0.43) HTTSMN1; SMN2ALDH1A1MAPK1HRH4
SCHEMBL7647201 0.64 SMPD3 (0.42) SMN1; SMN2HRH4CRHBPCRHR2
SCHEMBL7647192 0.64 SMPD3 (0.42) SMN1; SMN2HRH4CRHBPCRHR2
SCHEMBL20377814 0.62 SMN1; SMN2 (0.42) HTTSMN1; SMN2ALDH1A1MAPK1CYP1A2
SCHEMBL16134879 0.62 CYP1A2 (0.57) ALDH1A1HRH4CYP1A2KDM4E
SCHEMBL15885896 0.62 HTT (0.41) HTTSMN1; SMN2ALDH1A1MAPK1HRH4

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
WO-2002074267-A1 NOVEL DYEING COMPOSITIONS FOR THE DYEING OF KERATIN FIBRES COMPRISING 6-MEMBERED HETEROCYCLIC HYDRAZONE COMPOUNDS AS AN OXIDATION BASE L'OREAL (FR) 2002-09-26 WO disclosed