SCHEMBL23712697

SCHEMBL23712697

Cc1cc(-n2cccn2)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPT P10636 4/20 0.45
ACHE P22303 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KAT6A Q92794 6/20 0.40
LMNA P02545 2/20 0.40
DCTPP1 Q9H773 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL31413300 0.82 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL30104052 0.82 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL23702657 0.82 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL23702646 0.82 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL873113 0.80 MAPT (0.53) MAPTALDH1A1KMT2AMEN1KAT6A
SCHEMBL14964128 0.80 MAPT (0.49) MAPTALDH1A1KMT2AMEN1KAT6A
SCHEMBL2643542 0.78 KEAP1 (0.52) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL16342745 0.77 SMN1; SMN2 (0.50) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL4449726 0.76 NOTUM (0.55) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL10383600 0.75 ALDH1A1 (0.47) TSHRMAPTALDH1A1KMT2AMEN1

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-2021152165-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN S.A. (FR) 2021-08-05 WO disclosed