SCHEMBL26688263

SCHEMBL26688263

CCOC(=O)c1cc2cc([N+](=O)[O-])cc(Cl)c2o1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAOB P27338 2/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PTPN11 Q06124 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6979379 0.87 MAPT (0.55) MAPTNPC1GAARAB9AL3MBTL1
SCHEMBL6987618 0.86 MAPT (0.54) MAPTNPC1GAARAB9AL3MBTL1
SCHEMBL4727973 0.85 MAPT (0.53) MAPTNPC1GAARAB9AL3MBTL1
SCHEMBL6985505 0.84 MAPT (0.73) MAPTNPC1GAARAB9AL3MBTL1
SCHEMBL6983248 0.83 MAPT (0.51) MAPTNPC1GAARAB9AL3MBTL1
SCHEMBL9612675 0.81 MAOB (0.52) MAPTNPC1GAARAB9AMAOB
SCHEMBL6977065 0.81 MAOB (0.47) MAPTNPC1GAARAB9AMAOB
SCHEMBL26688244 0.80 ALDH1A1 (0.44) RAB9AL3MBTL1MAOBALDH1A1POLB
SCHEMBL16345194 0.79 MAOB (0.47) MAPTGAAMAOBALDH1A1HTT
SCHEMBL29592689 0.77 POLB (0.52) MAPTNPC1GAARAB9AMAOB

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-119136840-A Camptothecine derivative and ligand-medicine conjugate 海南先声再明医药股份有限公司 2024-12-13 CN disclosed
WO-2023217227-A1 CAMPTOTHECIN DERIVATIVE AND LIGAND-DRUG CONJUGATE 先声再明医药有限公司 2023-11-16 WO disclosed