SCHEMBL28632021

SCHEMBL28632021

O=[N+]([O-])c1ccc(-c2nccnc2OCCc2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ IDO1 P14902 1/20 0.40
▸ CYP11B1 P15538 4/20 0.40
▸ CYP11B2 P19099 4/20 0.40
▸ CYP19A1 P11511 3/20 0.40
▸ PDE10A Q9Y233 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 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 0.89 KMT2A (0.47) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL28627402 0.84 S1PR4 (0.43) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL18447793 0.84 CYP11B1 (0.56) MAPTALDH1A1IDO1CYP11B1CYP11B2
SCHEMBL18448787 0.83 CYP11B1 (0.39) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL28642927 0.79 ALDH1A1 (0.40) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL18447815 0.79 HPGD (0.47) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL22270628 0.77 LMNA (0.44) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL18448782 0.76 CYP19A1 (0.54) MEN1KMT2AMAPTLMNAIDO1
SCHEMBL19205613 0.74 ADRA2A (0.41) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL19205615 0.74 ADRA2A (0.41) MEN1KMT2AMAPTALDH1A1CYP3A4

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
CN-108026050-B Novel compounds as ROR gamma modulators 格兰马克药品股份有限公司 2021-04-30 — — CN disclosed
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