SCHEMBL22236183

SCHEMBL22236183

N#Cc1nn(C2CCCCO2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
RET P07949 1/20 0.32
GRM6 O15303 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
HPGD P15428 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL29259455 0.84 MEN1 (0.35) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL22207434 0.83 CYP1A2 (0.35) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL20641237 0.83 GAA (0.37) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL3934630 0.81 ALDH1A1 (0.32) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL2804353 0.80 HCAR3 (0.38) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL18421834 0.80 ALDH1A1 (0.33) MEN1KMT2AMAPTCYP2C9CYP1A2
SCHEMBL21854406 0.80 CYP1A2 (0.33) MEN1KMT2AMAPTCYP1A2ALDH1A1
SCHEMBL5578038 0.80 HCAR3 (0.33) MEN1KMT2AL3MBTL1MAPTCYP1A2
SCHEMBL30079004 0.79 ALDH1A1 (0.39) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL28492553 0.79 MCL1 (0.37) MEN1KMT2AL3MBTL1MAPTALDH1A1

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-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed