SCHEMBL31318564

SCHEMBL31318564

COc1c(Cl)cc(C(=O)N2CC3(CC3)Oc3ccc(F)cc32)cc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
TPMT P51580 1/20 0.35
MAPT P10636 6/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
PKM P14618 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
PAX8 Q06710 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL31318548 0.88 ALDH1A1 (0.40) ALDH1A1TPMTMAPTLMNAHPGD
SCHEMBL31318577 0.87 TTR (0.36) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL31318528 0.85 SLC22A6 (0.36) ALDH1A1TPMTMAPTLMNAHPGD
SCHEMBL31318525 0.84 TUBB4A (0.38) ALDH1A1TPMTMAPTLMNAHPGD
SCHEMBL31318550 0.80 ALDH1A1 (0.38) ALDH1A1TPMTMAPTLMNAHPGD
SCHEMBL31318536 0.78 CYP3A4 (0.37) ALDH1A1MAPTLMNAHPGDKMT2A
SCHEMBL31318517 0.77 SIRT3 (0.41) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL31318513 0.75 MEN1 (0.42) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31318535 0.74 SLC22A12 (0.38) KMT2AMEN1RAB9A
SCHEMBL31318501 0.74 SLC22A12 (0.41) ALDH1A1LMNAKMT2AMEN1GAA

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-119059989-A URAT1 inhibitor, preparation method and application thereof 中国药科大学 2024-12-03 CN disclosed