SCHEMBL31079746

SCHEMBL31079746

CN(Cc1ccc([N+](=O)[O-])c(Br)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 3/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 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
SCHEMBL12491462 0.81 SMN1; SMN2 (0.50) LMNAALDH1A1MAPT
SCHEMBL19181663 0.78 CHEK1 (0.45) CYP19A1LMNAMAPT
SCHEMBL14798532 0.78 SMN1; SMN2 (0.63) LMNAALDH1A1MAPT
SCHEMBL19182414 0.77 CYP1A2 (0.47) CYP19A1LMNAALDH1A1MAPTHPGD
SCHEMBL4810294 0.77 CRHBP (0.61) LMNAALDH1A1FAAHMGLL
SCHEMBL3649190 0.76 CYP19A1 (0.46) CYP19A1ALDH1A1MAPT
SCHEMBL5260772 0.76 MEN1 (0.46) ALDH1A1MAPTHPGD
SCHEMBL22634768 0.75 CYP19A1 (0.43) CYP19A1ALDH1A1MAPT
SCHEMBL15248984 0.75 ALDH1A1 (0.47) CYP19A1ALDH1A1MAPT
SCHEMBL9488146 0.75 KAT2B (0.49) CYP19A1LMNAALDH1A1MAPT

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-119775277-A Compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2025-04-08 CN disclosed
CN-114793435-B Compounds as modulators of LRRK2, NUAK1 and/or TYK2 kinases for the treatment of, for example, autoimmune diseases 原真股份有限公司 2024-10-01 CN disclosed