SCHEMBL29902863

SCHEMBL29902863

CNC(=O)Cc1cc(F)c([N+](=O)[O-])c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PCNA P12004 1/20 0.38
THRB P10828 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL29902904 0.91 LMNA (0.39) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL29902848 0.80 LMNA (0.52) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL1151055 0.80 CYP1A2 (0.40) LMNARECQLTHRBMAPTTDP1
SCHEMBL29100178 0.78 ALDH1A1 (0.34) LMNARECQLALDH1A1MEN1KMT2A
SCHEMBL25368848 0.75 LMNA (0.45) LMNAALDH1A1MEN1KMT2ATHRB
SCHEMBL1151448 0.74 MTNR1A (0.43) LMNAALDH1A1THRBMAPTL3MBTL1
SCHEMBL13329774 0.73 KMT2A (0.53) LMNAALDH1A1MEN1KMT2APCNA
SCHEMBL12693888 0.73 POLB (0.38) ALDH1A1MAPTTDP1POLB
SCHEMBL309614 0.73 TSHR (0.38) ALDH1A1MAPTTDP1POLB
SCHEMBL7437807 0.73 HSP90AB1 (0.49) LMNARECQLALDH1A1MEN1KMT2A

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