SCHEMBL29236126

SCHEMBL29236126

NC(=O)Oc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PTPN7 P35236 1/20 0.45
▸ PTPN12 Q05209 1/20 0.45
▸ PTPN22 Q9Y2R2 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ BCL2L1 Q07817 1/20 0.39
▸ MCL1 Q07820 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
SCHEMBL28611098 0.81 TDP1 (0.53) MAPTPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL28920607 0.81 HSPB1 (0.47) MAPTALDH1A1HPGDNPC1CYP3A4
SCHEMBL11647517 0.80 MAPT (0.55) MAPTPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL8989557 0.78 HPGD (0.51) MAPTPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL28931147 0.77 HPGD (0.45) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL28410050 0.77 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL15234445 0.77 ERN1 (0.43) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL3721283 0.76 MAPT (0.57) MAPTPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL8926888 0.76 MAPT (0.48) MAPTPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL30644791 0.75 MAPT (0.50) MAPTPOLBALDH1A1SMN1; SMN2GAA

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-118234728-A Heterocyclic compounds for the treatment of cancer 阿提奥斯医药有限公司 2024-06-21 — — CN disclosed
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