SCHEMBL8316865

SCHEMBL8316865

Cc1ccc(CC(=O)CC#N)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX7 Q99572 2/20 0.37
PYCR1 P32322 1/20 0.37
PSMB5 P28074 2/20 0.36
PSMB8 P28062 1/20 0.36
CISD2 Q8N5K1 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL14729157 0.84 NPC1 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7556914 0.81 HTT (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13091046 0.79 NPC1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4859694 0.77 MAPT (0.35) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL30300608 0.77 NPC1 (0.42) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3015011 0.77 SMN1; SMN2 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2262218 0.76 NPC1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL28458644 0.75 L3MBTL1 (0.50) KCNH2MEN1KMT2ANPC1RAB9A
SCHEMBL11217315 0.75 NPSR1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1257786 0.74 NPSR1 (0.45) MEN1KMT2ANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915880-A1 AZOLO TRIAZINES AND PYRIMIDINES Du Pont Pharmaceuticals Company (US) 1999-05-19 EP disclosed
WO-1998003510-A1 AZOLO TRIAZINES AND PYRIMIDINES DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-29 WO disclosed