SCHEMBL29995641

SCHEMBL29995641

Nc1ccc(Sc2ccc([N+](=O)[O-])nc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PDE7A Q13946 6/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PDE7B Q9NP56 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36

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
SCHEMBL15689408 0.85 MAPT (0.44) MAPTMEN1KMT2APDE7APDE7B
SCHEMBL11395682 0.83 MEN1 (0.50) MAPTMEN1KMT2APDE7AMAPK1
SCHEMBL8570852 0.80 MAPT (0.47) MAPTMEN1KMT2ACYP3A4TSHR
SCHEMBL28863243 0.78 MAPT (0.38) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL15689484 0.78 MAPT (0.41) MAPTMEN1KMT2APDE7AALDH1A1
SCHEMBL4986190 0.75 MAPT (0.44) MAPTMAPK1ALDH1A1HTTPOLB
SCHEMBL1713212 0.74 MAPT (1.00) MAPTMEN1KMT2APDE7ACYP3A4
SCHEMBL29996298 0.73 ALDH1A1 (0.47) MAPTMEN1KMT2APDE7ACYP3A4
SCHEMBL28863204 0.73 MEN1 (0.50) MAPTMEN1KMT2ATSHRMAPK1
SCHEMBL15689464 0.71 HSP90AA1 (0.44) MAPTMEN1KMT2AALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197130-B Aryl urea derivative and preparation method and application thereof 安徽医科大学 2023-06-27 CN disclosed
CN-115197130-A Aryl urea derivative and preparation method and application thereof 安徽医科大学 2022-10-18 CN disclosed