SCHEMBL21384615

SCHEMBL21384615

CC(NC(=NS(C)(=O)=O)Nc1ccc(Cl)cc1)C1CCN(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
CNR1 P21554 1/20 0.41
EPHX2 P34913 1/20 0.40
CACNA1G O43497 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR1 P32246 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
ACP1 P24666 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.38
NAMPT P43490 2/20 0.37

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
SCHEMBL21384612 1.00 L3MBTL1 (0.43) L3MBTL1LMNACNR1EPHX2CACNA1G
SCHEMBL21396932 0.83 F10 (0.39) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21385835 0.76 MEN1 (0.42) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21385836 0.76 MEN1 (0.42) LMNAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30574421 0.75 MEN1 (0.41) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL30574424 0.75 MEN1 (0.41) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL28456220 0.72 MAPT (0.48) L3MBTL1LMNAMAPTMEN1KMT2A
SCHEMBL21182270 0.68 IDO1 (0.50) L3MBTL1LMNACNR1MAPTSMN1; SMN2
SCHEMBL21187088 0.68 IDO1 (0.50) L3MBTL1LMNACNR1MAPTSMN1; SMN2
SCHEMBL21182269 0.68 IDO1 (0.50) L3MBTL1LMNACNR1MAPTSMN1; SMN2

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-2019179362-A1 AMIDINE AND GUANIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USES THEREOF 四川科伦博泰生物医药股份有限公司 2019-09-26 WO disclosed