SCHEMBL29902848

SCHEMBL29902848

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 2/20 0.52
RECQL P46063 2/20 0.51
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSK P43235 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
RAPGEF3 O95398 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
SMN1; SMN2 Q16637 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
SCHEMBL4131823 0.82 ATM (0.47) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL29902882 0.82 TSHR (0.47) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL2729354 0.81 TDP1 (0.53) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL5674809 0.81 TDP1 (0.53) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL8729537 0.81 POLB (0.49) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL13523692 0.81 KMT2A (0.53) LMNAMEN1KMT2AALDH1A1RECQL
Methane SCHEMBL28528368 0.80 TDP1 (0.51) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL28847424 0.80 ATM (0.51) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL29902863 0.80 LMNA (0.42) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL29902892 0.80 ATM (0.51) LMNAMEN1KMT2AALDH1A1RECQL

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