SCHEMBL13754591

SCHEMBL13754591

CN(C)C(=O)CCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.45
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ ALB P02768 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ CYP51A1 Q16850 1/20 0.36
▸ CYP4Z1 Q86W10 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NCOR2 Q9Y618 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
SCHEMBL30874461 0.75 CYP51A1 (0.49) SCN1ASCN2ASCN3ATP53CA1
SCHEMBL19126736 0.75 HRH3 (0.53) SCN1ASCN2ASCN3ATP53CA1
SCHEMBL16416582 0.74 ESR1 (0.50) KMT2ATP53FFAR1CA2HDAC8
SCHEMBL7797805 0.74 FFAR1 (0.51) KMT2AFFAR1
SCHEMBL14720056 0.74 SMN1; SMN2 (0.55) LTB4RFFAR1ALBHDAC3HDAC8
SCHEMBL17923599 0.74 NPC1 (0.50) FFAR1ALBPTGS2CYP51A1
SCHEMBL9242991 0.73 GFER (0.48) KMT2AFFAR1
SCHEMBL4425976 0.73 TAAR1 (0.52) KMT2AFFAR1
SCHEMBL3139297 0.73 TAAR1 (0.52) KMT2AFFAR1
SCHEMBL11132861 0.73 RAB9A (0.51) KMT2AFFAR1HDAC3HDAC8

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
WO-2009105746-A2 TRIAZOLES AND PROCESSES FOR PRODUCING THE SAME UNIVERSITY OF SOUTH FLORIDA (US) 2009-08-27 — — WO disclosed
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