SCHEMBL30848972

SCHEMBL30848972

O=C(O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.52
APEX1 P27695 1/20 0.47
ALDH1A1 P00352 1/20 0.40
PIN1 Q13526 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EIF4E P06730 1/20 0.40
CASP6 P55212 1/20 0.40
ERN1 O75460 1/20 0.39
DHODH Q02127 1/20 0.39
XDH P47989 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 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
SCHEMBL3007965 1.00 FBP1 (0.52) FBP1APEX1ALDH1A1PIN1MEN1
SCHEMBL3009122 0.88 APEX1 (0.50) FBP1APEX1MEN1KMT2ACASP6
SCHEMBL30849028 0.87 XDH (0.45) FBP1ALDH1A1MEN1KMT2AERN1
SCHEMBL30848961 0.87 XDH (0.45) FBP1ALDH1A1MEN1KMT2AERN1
SCHEMBL30224780 0.83 XDH (0.40) FBP1APEX1ALDH1A1MEN1KMT2A
SCHEMBL30224753 0.81 FBP1 (0.44) FBP1APEX1ALDH1A1MEN1KMT2A
SCHEMBL30848955 0.80 APEX1 (0.44) FBP1APEX1ALDH1A1EIF4ECASP6
SCHEMBL3000396 0.79 RXRA (0.47) FBP1APEX1CASP6ERN1
SCHEMBL30224916 0.79 FBP1 (0.42) FBP1APEX1ALDH1A1MEN1KMT2A
SCHEMBL3004133 0.79 CYP19A1 (0.50) FBP1APEX1ALDH1A1MEN1KMT2A

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-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed