SCHEMBL3799149

SCHEMBL3799149

NC(=O)Oc1cc(-c2cnc(Nc3ccc(NC(=O)Cc4ccccc4)nc3)c3ncnn23)cs1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
DEGS1 O15121 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
WNT3A P56704 3/20 0.36
MKNK1 Q9BUB5 1/20 0.35
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
MET P08581 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
MAPKAPK5 Q8IW41 2/20 0.34

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
SCHEMBL3794612 0.88 RAB9A (0.40) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13918220 0.86 HSD17B10 (0.41) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL1478160 0.78 HSD17B10 (0.54) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL1674310 0.67 MAPKAPK5 (0.51) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL1674143 0.62 DEGS1 (0.71) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL29385905 0.60 DEGS1 (0.71) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL21286264 0.60 WNT3A (0.78) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL20284048 0.59 DEGS1 (1.00) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL933299 0.58 RAB9A (0.74) HSD17B10MEN1KMT2ANPC1RAB9A
SCHEMBL22607250 0.58 KMT2A (0.84) HSD17B10MEN1KMT2ANPC1RAB9A

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-2029602-B1 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-04-21 EP claimed