SCHEMBL29902882

SCHEMBL29902882

CNC(=O)Cc1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
MAPK1 P28482 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GSR P00390 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38

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
SCHEMBL10665226 0.88 LMNA (0.49) TSHRTDP1LMNAALDH1A1MAPT
SCHEMBL29902848 0.82 LMNA (0.52) TDP1LMNAALDH1A1MAPTMAPK1
SCHEMBL6209939 0.82 ALDH1A1 (0.61) TSHRTDP1LMNAALDH1A1MAPT
SCHEMBL4857085 0.81 TDP1 (0.53) TSHRTDP1LMNAALDH1A1MAPT
SCHEMBL4857095 0.81 TDP1 (0.53) TSHRTDP1LMNAALDH1A1MAPT
SCHEMBL13523692 0.81 KMT2A (0.53) TSHRLMNAALDH1A1MAPTMAPK1
SCHEMBL8729537 0.81 POLB (0.49) TSHRLMNAALDH1A1MAPTMAPK1
SCHEMBL29902856 0.79 GAA (0.47) TSHRTDP1LMNAALDH1A1MAPT
SCHEMBL10663556 0.79 GAA (0.47) TSHRTDP1LMNAALDH1A1MAPT
SCHEMBL9316883 0.79 TDP1 (0.62) TSHRTDP1LMNAALDH1A1MAPT

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
EP-4077316-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2022-10-26 EP disclosed