SCHEMBL16719980

SCHEMBL16719980

Oc1cccc(-c2n[c]ccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 9/20 0.53
HSD17B2 P37059 8/20 0.53
CYP19A1 P11511 3/20 0.48
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 2/20 0.44
PIK3CD O00329 3/20 0.43
PIK3CA P42336 3/20 0.43
METAP2 P50579 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CYP17A1 P05093 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
RIPK1 Q13546 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL16719958 0.79 HPGDS (0.40) CYP3A4CHRNB4CHRNA3CYP17A1CYP11B1
SCHEMBL6211007 0.79 RAB9A (0.46) CYP2C9METAP2CHRNB4CHRNA3
SCHEMBL27625438 0.79 HSD17B1 (0.68) HSD17B1HSD17B2CYP19A1CYP3A4CYP2C9
SCHEMBL27783403 0.79 PRKCI (0.50) PIK3CDPIK3CACHRNB4CHRNA3CYP11B1
SCHEMBL28035390 0.78 FYN (0.46) CDK1
SCHEMBL468098 0.77 NPC1 (0.42) CYP11B1
SCHEMBL28001501 0.76 CLK4 (0.68) CYP3A4CYP2C9
SCHEMBL11105129 0.76 KIF11 (0.50) HDAC6
SCHEMBL28035391 0.73 CLK4 (0.34)
SCHEMBL23630338 0.71 HSD17B1 (0.62) HSD17B1HSD17B2CYP19A1CYP3A4CYP2C9

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-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed