SCHEMBL30516693

SCHEMBL30516693

COC(=O)c1cccc(OCC(F)F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
HNF4A P41235 1/20 0.39
HPD P32754 4/20 0.39
RAB9A P51151 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
SCHEMBL24478646 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL26401595 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL30402800 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL26401575 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL3777362 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL2521491 0.82 HPGD (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL28029191 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL16836610 0.81 SLC6A3 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL29091643 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL2713939 0.80 MAPT (0.44) ALDH1A1RAB9A

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-116601149-A Aminoquinazoline derivatives as P2X3 inhibitors 奇斯药制品公司 2023-08-15 CN disclosed