SCHEMBL11608786

SCHEMBL11608786

CN(CCc1ccccc1)C(=S)SCCC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45

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
SCHEMBL11607866 0.86 MGLL (0.56) NPC1RAB9AKMT2ACASP3SENP8
SCHEMBL11610513 0.84 KMT2A (0.48) NPC1RAB9AKMT2ATDP1THRA
SCHEMBL11611777 0.82 KMT2A (0.53) NPC1RAB9AKMT2ACASP3SENP8
SCHEMBL2796515 0.77 TAAR1 (0.52) ABCC1MLYCDMGLLNPY5R
SCHEMBL11608219 0.76 NPC1 (0.73) NPC1RAB9AKMT2ACASP3SENP8
SCHEMBL11607872 0.73 IDO1 (0.57) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL11609156 0.72 KMT2A (0.45) KMT2ATDP1HDAC3HDAC4HDAC1
SCHEMBL11606189 0.72 MGLL (0.59) NPC1RAB9AKMT2AABCC1SMN1; SMN2
SCHEMBL11610548 0.72 KMT2A (0.52) NPC1RAB9AKMT2AABCC1SMN1; SMN2
SCHEMBL12133560 0.72 MLYCD (0.72) KMT2AHDAC1HDAC6MLYCD

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-4076814-A DITHIOCARBAMIC ACID DERIVATIVES SANKYO COMPANY LIMITED (JA) 1978-02-28 US disclosed