SCHEMBL4629048

SCHEMBL4629048

CSC(=N)Nc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
PKM P14618 1/20 0.54
NAMPT P43490 5/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HIF1A Q16665 1/20 0.49
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46

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
Iodide SCHEMBL2779572 0.98 RAB9A (0.53) RAB9ANPC1PKMNAMPTKDM4E
SCHEMBL1387772 0.81 HSD17B10 (0.50) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL15381295 0.79 LMNA (0.57) RAB9ANPC1PKMNAMPTKDM4E
SCHEMBL8977657 0.79 HTT (0.55) RAB9ANPC1PKMKDM4ELMNA
SCHEMBL7403710 0.78 HSD17B10 (0.48) RAB9ANPC1KMT2AMEN1TP53
Iodide SCHEMBL1286893 0.77 HSD17B10 (0.46) RAB9ANPC1KMT2AMEN1TP53
Hydrochloric Acid SCHEMBL9425234 0.77 HSD17B10 (0.46) RAB9ANPC1KMT2AMEN1TP53
SCHEMBL14538107 0.76 NPC1 (0.51) RAB9ANPC1PKMNAMPTKDM4E
Pyraxinine SCHEMBL2456848 0.76 RAB9A (0.55) RAB9ANPC1PKMNAMPTKDM4E
SCHEMBL4629194 0.76 RAB9A (0.55) RAB9ANPC1PKMNAMPTKDM4E

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-1917244-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022964-A2 HETARYL-SUBSTITUTED GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5-RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 WO disclosed