SCHEMBL8100162

SCHEMBL8100162

NC1=CCC(Cl)(N(CCO)CCO)C=C1c1cccs1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7808523 0.83 TDP1 (0.33) HDAC1HDAC3HDAC2TDP1
SCHEMBL8060685 0.78
SCHEMBL7800827 0.69 KCNH2 (0.37) HDAC1HDAC3HDAC2
SCHEMBL7807618 0.64 TDP1 (0.31) TDP1
SCHEMBL27573053 0.58 DPP4 (0.35) TDP1
SCHEMBL7800654 0.56 MAPT (0.39) HDAC1TDP1
SCHEMBL7800711 0.56 NPC1 (0.36) HDAC1TDP1
SCHEMBL7809743 0.56 NR3C1 (0.36) HDAC1HDAC3HDAC2TDP1
SCHEMBL7800933 0.55 NPC1 (0.38) HDAC1TDP1
SCHEMBL7807514 0.55 NPC1 (0.41) HDAC1HDAC3HDAC2TDP1

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