SCHEMBL17199017

SCHEMBL17199017

Cc1ccc(CNC(=O)Nc2nccs2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.80
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 4/20 0.59
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
GAA P10253 2/20 0.59
TP53 P04637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 1/20 0.59
MGAM O43451 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55

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
SCHEMBL17186325 0.86 KDM4E (0.60) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL3510455 0.86 KDM4E (0.79) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL7846212 0.85 KDM4E (0.60) KDM4EPOLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL17186457 0.85 KDM4E (0.59) KDM4EPOLBSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL18605769 0.84 KDM4E (0.77) KDM4EPOLBSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL11318575 0.80 KDM4E (0.67) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL4915214 0.80 SMN1; SMN2 (0.73) KDM4ESMN1; SMN2NPC1RAB9AROCK2
SCHEMBL2730689 0.78 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3430425 0.77 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL171893 0.77 KDM4E (0.62) KDM4ESMN1; SMN2NPC1RAB9AMEN1

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-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed