SCHEMBL8091096

SCHEMBL8091096

Cc1ccc(-c2cc(N)c(CCO)c(CCO)c2N)s1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC3 O15379 1/20 0.31
TKT P29401 2/20 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
SCHEMBL8071425 0.75
SCHEMBL7460452 0.73 PLA2G10 (0.33)
SCHEMBL13362240 0.73 ALDH1A1 (0.48) ALDH1A1MEN1MPIKMT2ANPC1
SCHEMBL6570707 0.73 HTR7 (0.36) ALDH1A1
SCHEMBL8100179 0.71 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL6574401 0.70 USP7 (0.42)
SCHEMBL8090515 0.70 CA2 (0.36)
SCHEMBL6573036 0.69 MAPT (0.31) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7459412 0.69 ESR1 (0.30)
SCHEMBL6572300 0.68

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
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed