SCHEMBL20796254

SCHEMBL20796254

CCC(Cl)NCCN1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL14342364 0.79 CARM1 (0.38) MEN1KMT2ACNR1CNR2CYP2C19
SCHEMBL20796306 0.73 TP53 (0.38) MEN1KMT2ACNR1CNR2USP2
SCHEMBL13178506 0.73 PRMT6 (0.41) MEN1KMT2ACNR1CNR2CYP2C19
SCHEMBL10177623 0.72 CARM1 (0.58) MEN1KMT2ANPC1ALDH1A1
SCHEMBL12465581 0.72 ACE2 (0.48) MEN1KMT2ACNR1CNR2CYP2C19
SCHEMBL178300 0.71 KMT2A (0.44) MEN1KMT2ACNR2CYP2C19NPC1
SCHEMBL23219763 0.71 ADH1B (0.38) MEN1KMT2ACNR2USP2ALDH1A1
SCHEMBL14701565 0.69 TP53 (0.40) MEN1KMT2ACNR2USP2NPC1
SCHEMBL13137783 0.68 CACNA1H (0.41) MEN1KMT2ACNR1CNR2CYP2C19
SCHEMBL15869761 0.68 KMT2A (0.44) MEN1KMT2ACYP2C19NPC1ALDH1A1

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
WO-2019043642-A1 NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) 2019-03-07 WO disclosed