SCHEMBL15775205

SCHEMBL15775205

Cc1cccc(C(N)=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.54
RAB9A P51151 5/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 4/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KCNMA1 Q12791 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HTT P42858 1/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7367686 0.88 RORC (0.63) RORCRAB9AGAASMN1; SMN2NPC1
SCHEMBL7570311 0.84 KMT2A (0.54) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL15775319 0.84 KDM4E (0.59) RAB9AGAASMN1; SMN2KDM4ENPC1
SCHEMBL15775601 0.82 KDM4E (0.61) KDM4EKMT2AALDH1A1POLB
SCHEMBL18610497 0.82 RORC (0.63) RORCRAB9AGAASMN1; SMN2NPC1
SCHEMBL15775437 0.81 KDM4E (0.57) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL15775229 0.81 KDM4E (0.57) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL15775402 0.81 KDM4E (0.77) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL15775332 0.79 ALDH1A1 (0.55) RAB9ASMN1; SMN2KDM4ENPC1KMT2A
SCHEMBL15775220 0.79 KDM4E (0.58) RAB9AGAASMN1; SMN2KDM4ENPC1

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-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed