SCHEMBL8948416

SCHEMBL8948416

CCSc1cc(NC(C)=O)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
ALDH1A1 P00352 1/20 0.46
ELANE P08246 1/20 0.46
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
NR4A1 P22736 1/20 0.44
GAA P10253 1/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
RORC P51449 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8948371 0.82 MTNR1A (0.47) TDP1ALDH1A1GAAHDAC1SMN1; SMN2
SCHEMBL11772594 0.82 TDP1 (0.53) TDP1ALDH1A1RAB9AHDAC1HTT
SCHEMBL8445210 0.77 HTT (0.55) TDP1ALDH1A1POLBGAAHTT
SCHEMBL13938004 0.76 ALDH1A1 (0.47) TDP1ALDH1A1POLBRAB9AHDAC1
SCHEMBL30442658 0.76 TDP1 (0.60) TDP1ALDH1A1RAB9AHDAC1HTT
SCHEMBL7509092 0.76 TDP1 (0.60) TDP1ALDH1A1RAB9AHDAC1HTT
SCHEMBL8446974 0.75 ALDH1A1 (0.37) ALDH1A1POLBRAB9AGAASMN1; SMN2
SCHEMBL11127800 0.75 TDP1 (0.64) TDP1ALDH1A1POLBRAB9ANR4A1
Hydrochloric Acid SCHEMBL7516181 0.74 TDP1 (0.58) TDP1ALDH1A1RAB9AHDAC1HTT
SCHEMBL9751769 0.73 GAA (0.59) TDP1ALDH1A1RAB9AGAAHDAC1

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-5542952-A DEVELOPERS THAT FORM STABLE OXIDATION HAIR DYES L'OREAL (FR) 1996-08-06 US disclosed