SCHEMBL6970481

SCHEMBL6970481

CNC(=S)N(Cc1cccc(C#N)c1)c1c(C)nn(-c2ccccc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLK1 P53350 1/20 0.37
GRM5 P41594 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
NR3C1 P04150 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
AR P10275 1/20 0.36
PTGES O14684 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL6966662 0.85 NPSR1 (0.44) MEN1KMT2AGRM5NPC1RAB9A
SCHEMBL6970818 0.79 MEN1 (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6965184 0.78 MAPT (0.40) MEN1KMT2ANPC1UBE2MDCUN1D1
SCHEMBL6971557 0.74 ALDH1A1 (0.46) NPC1RAB9AALDH1A1LMNATSHR
SCHEMBL6964978 0.73 NPC1 (0.42) GRM5NPC1RAB9AALDH1A1LMNA
SCHEMBL6972135 0.73 MEN1 (0.47) MEN1KMT2APLK1ALDH1A1LMNA
SCHEMBL6964956 0.72 L3MBTL1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL6970219 0.70 MEP1A (0.41) MEN1KMT2ANPC1NR3C1MEP1A
SCHEMBL6973143 0.69 MAPK1 (0.42) NPC1RAB9ANR3C1MEP1AMEP1B
SCHEMBL6971363 0.69 AR (0.39) MEN1KMT2AMEP1AMEP1BAR

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed