SCHEMBL3811147

SCHEMBL3811147

O=C(O)Oc1sc(-c2ccccc2)cc1N(Cc1ccccc1)C(=O)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR1H4 Q96RI1 11/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
SLC2A1 P11166 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3811557 0.96 CPB1 (0.49) CPB1LMNASMN1; SMN2NR1H4MEN1
SCHEMBL3811171 0.94 CNR2 (0.45) CPB1LMNASMN1; SMN2NR1H4MEN1
SCHEMBL3811160 0.94 CNR1 (0.45) CPB1LMNASMN1; SMN2NR1H4MAPT
SCHEMBL3807293 0.93 KDM4E (0.45) CPB1LMNASMN1; SMN2NR1H4MEN1
SCHEMBL3815608 0.91 NR1H4 (0.48) CPB1LMNASMN1; SMN2NR1H4
SCHEMBL3812112 0.91 PTGES (0.45) CPB1NR1H4KMT2AMAPT
SCHEMBL3807190 0.90 NR1H4 (0.42) CPB1LMNASMN1; SMN2NR1H4
SCHEMBL3811469 0.89 CPB1 (0.43) CPB1NR1H4MEN1KMT2AKDM4E
SCHEMBL3807405 0.89 CPB1 (0.43) CPB1SMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL3811131 0.89 NR1H4 (0.49) CPB1NR1H4HTTMAPTCYP3A4

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed