SCHEMBL30849028

SCHEMBL30849028

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.45
FBP1 P09467 4/20 0.43
ERN1 O75460 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 1/20 0.40
VCAM1 P19320 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL30848961 1.00 XDH (0.45) XDHFBP1ERN1MEN1KMT2A
SCHEMBL30224780 0.87 XDH (0.40) XDHFBP1ERN1MEN1KMT2A
SCHEMBL30848972 0.87 FBP1 (0.52) XDHFBP1ERN1MEN1KMT2A
SCHEMBL3007965 0.87 FBP1 (0.52) XDHFBP1ERN1MEN1KMT2A
SCHEMBL30224753 0.78 FBP1 (0.44) XDHFBP1MEN1KMT2ALMNA
SCHEMBL20897631 0.76 VCP (0.53) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3004155 0.76 TUBB4A (0.48) XDHMEN1KMT2ALMNAMAPT
SCHEMBL30224916 0.76 FBP1 (0.42) FBP1MEN1KMT2ALMNAMAPT
SCHEMBL30224797 0.76 ALDH1A1 (0.37) XDHFBP1MEN1KMT2ALMNA
SCHEMBL28358900 0.75 XDH (0.49) XDHFBP1ERN1MEN1KMT2A

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