SCHEMBL15224205

SCHEMBL15224205

NCCCNC(=S)Nc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.68
LMNA P02545 6/20 0.64
GAA P10253 5/20 0.64
RAB9A P51151 2/20 0.62
MAOA P21397 2/20 0.62
MAOB P27338 2/20 0.62
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 8/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 4/20 0.57
ALOX12 P18054 1/20 0.57
MEN1 O00255 3/20 0.55
MAPK1 P28482 1/20 0.55
CYP3A4 P08684 1/20 0.55
TAS2R38 P59533 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTT P42858 2/20 0.55
POLB P06746 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
SMN1; SMN2 Q16637 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
SCHEMBL3013357 0.93 KMT2A (0.64) KMT2ALMNAGAARAB9AMAOA
SCHEMBL4397993 0.89 KMT2A (0.68) KMT2ALMNAGAARAB9AMAOA
Hydrochloric Acid SCHEMBL322544 0.87 KMT2A (0.66) KMT2ALMNAGAARAB9AMAOA
SCHEMBL8956279 0.85 KMT2A (0.78) KMT2ALMNAGAARAB9AMAOA
SCHEMBL4318327 0.84 GAA (0.57) KMT2ALMNAGAARAB9AMAOA
SCHEMBL4575974 0.84 LMNA (0.87) KMT2ALMNAGAARAB9AMAOA
SCHEMBL3958934 0.82 KMT2A (0.80) KMT2ALMNAGAARAB9AMAOA
SCHEMBL17595823 0.82 LMNA (0.79) KMT2ALMNAGAARAB9AMAOA
SCHEMBL4322690 0.82 KMT2A (0.68) KMT2ALMNAGAAALDH1A1L3MBTL1
SCHEMBL27812099 0.81 ALDH1A1 (0.64) KMT2ALMNAGAARAB9AMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed