SCHEMBL6271996

SCHEMBL6271996

CCn1c(C)csc1=NN=C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
RAB9A P51151 6/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 10/20 0.46
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
NPC1 O15118 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
HCRTR1 O43613 1/20 0.46
MAPK10 P53779 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 6/20 0.45
TDP1 Q9NUW8 4/20 0.45
ALOX12 P18054 2/20 0.45
MAPT P10636 9/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL5285272 0.87 ALDH1A1 (0.49) POLBRAB9AHSD17B10ALDH1A1MEN1
SCHEMBL5285275 0.87 ALDH1A1 (0.49) POLBRAB9AHSD17B10ALDH1A1MEN1
SCHEMBL5279221 0.83 LMNA (0.40) POLBRAB9AHSD17B10ALDH1A1MEN1
SCHEMBL5281152 0.82 ALDH1A1 (0.36) POLBRAB9AHSD17B10ALDH1A1MEN1
SCHEMBL5278267 0.81 MAPT (0.56) POLBRAB9AHSD17B10ALDH1A1MEN1
SCHEMBL5278263 0.81 MAPT (0.56) POLBRAB9AHSD17B10ALDH1A1MEN1
SCHEMBL4616271 0.77 MAPK1 (0.46) POLBRAB9AALDH1A1MEN1KMT2A
SCHEMBL5281633 0.70 CNR2 (0.31)
SCHEMBL5281630 0.70 CNR2 (0.31)
SCHEMBL5280714 0.69 CYP1A2 (0.50) RAB9AHSD17B10ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599178-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2005-11-30 EP disclosed
WO-2004078151-A1 MEANS AND METHOD FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2004-09-16 WO disclosed