SCHEMBL16720480

SCHEMBL16720480

Oc1cncc(C2=CC=C[N]2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.41
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ CYP17A1 P05093 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ APLNR P35414 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL16720128 0.74 CYP1A1 (0.48) CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL16719934 0.73 HSD17B1 (0.48) HSD17B1CYP3A4
SCHEMBL16720028 0.73 ATM (0.36) —
SCHEMBL9465979 0.67 CYP2A6 (0.54) CYP11B2CYP3A4
SCHEMBL3819587 0.65 — —
SCHEMBL3338127 0.65 — —
SCHEMBL9465196 0.64 MAPT (0.46) CYP3A4
Hydrochloric Acid SCHEMBL28177242 0.63 — —
SCHEMBL1026676 0.63 HSD17B1 (0.55) HSD17B1CYP11B1CYP11B2CYP3A4
SCHEMBL3601974 0.61 ALDH1A1 (0.38) —

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
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