SCHEMBL4619948

SCHEMBL4619948

Cn1cc(C(=O)O)n(C)c1=NN

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.34
GPR35 Q9HC97 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30

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
SCHEMBL4620955 0.71 MCL1 (0.41) MCL1TDP1GPR35HSD17B10GFER
SCHEMBL4616455 0.64 ALDH1A1 (0.37) MCL1GPR35HSD17B10GFERKDM4E
SCHEMBL4616458 0.64 ALDH1A1 (0.37) MCL1GPR35HSD17B10GFERKDM4E
SCHEMBL71983 0.62 MCL1 (0.48) MCL1TDP1EGFRGPR35HSD17B10
SCHEMBL7054295 0.61 TDP1 (0.41) MCL1TDP1GPR35HSD17B10KDM4E
SCHEMBL781811 0.61 TDP1 (0.45) MCL1TDP1GPR35HSD17B10GFER
SCHEMBL370476 0.61 TDP1 (0.45) MCL1TDP1GPR35HSD17B10GFER
SCHEMBL3708197 0.60 TDP1 (0.59) TDP1GPR35KDM4EPOLBGRN
Hydrochloric Acid SCHEMBL7049628 0.60 TDP1 (0.44) MCL1TDP1GPR35HSD17B10GFER
SCHEMBL16691878 0.59 TDP1 (0.42) MCL1TDP1GPR35HSD17B10GFER

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-1601335-B1 MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES WELLA AG (DE) 2008-03-19 EP claimed
WO-2002074268-A2 DYEING COMPOSITIONS FOR THE DYEING OF KERATIN FIBRES, COMPRISING HETEROCYCLIC HYDRAZONE COMPOUNDS L'OREAL (FR) 2002-09-26 WO disclosed