SCHEMBL20796306

SCHEMBL20796306

CC(Cl)NCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 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
SCHEMBL14701565 0.86 TP53 (0.40) TP53SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL17207595 0.77 CARM1 (0.43) TP53SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL14342364 0.75 CARM1 (0.38) TP53SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL22294037 0.74 CYP2C19 (0.38) TP53SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL20796254 0.73 MEN1 (0.36) MEN1KMT2AUSP2ALDH1A1CNR1
SCHEMBL441490 0.73 GBA1 (0.38) TP53SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL6487250 0.73 KMT2A (0.33) TP53SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL13600648 0.72 MEN1 (0.36) TP53SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL17057349 0.72 CARM1 (0.42) TP53SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19955066 0.71 SMN1; SMN2 (0.46) TP53SMN1; SMN2KMT2AUSP2LMNA

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