SCHEMBL22270628

SCHEMBL22270628

Cc1ccccc1COc1nccnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 6/20 0.42
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SLC11A2 P49281 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL18449672 0.85 KMT2A (0.47) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL18448782 0.82 CYP19A1 (0.54) LMNAKMT2AMAPTIDO1MEN1
SCHEMBL18484534 0.79 KMT2A (0.43) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL18448548 0.78 ALDH1A1 (0.51) LMNAMAPTHTTL3MBTL1GABRA5
SCHEMBL28632021 0.77 MEN1 (0.46) LMNAKMT2AMAPTHTTL3MBTL1
SCHEMBL5797839 0.76 ALDH1A1 (0.57) KMT2AMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL28642927 0.75 ALDH1A1 (0.40) LMNAKMT2AMAPTHTTMEN1
SCHEMBL18447793 0.75 CYP11B1 (0.56) MAPTIDO1ALDH1A1CNR2
SCHEMBL18449560 0.75 IDO1 (0.50) KMT2AMAPTHTTL3MBTL1IDO1
SCHEMBL18448565 0.74 KMT2A (0.43) LMNAKMT2AMAPTHTTL3MBTL1

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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