SCHEMBL30224902

SCHEMBL30224902

COCCOCc1cc([N+](=O)[O-])c2[nH]c(-c3ccc(P(C)(C)=O)cc3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.36
FBP1 P09467 2/20 0.35
CHEK1 O14757 1/20 0.32
PTGES O14684 1/20 0.32
F2RL3 Q96RI0 1/20 0.31

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
SCHEMBL30224929 0.89 XDH (0.37) XDHFBP1CHEK1PTGESF2RL3
SCHEMBL30848953 0.88 F2RL3 (0.41) XDHFBP1F2RL3
SCHEMBL27237592 0.88 F2RL3 (0.41) XDHFBP1F2RL3
SCHEMBL30224943 0.87 F2RL3 (0.40) XDHFBP1CHEK1F2RL3
SCHEMBL29185320 0.83 EGFR (0.32)
SCHEMBL30224808 0.83 EGFR (0.32)
SCHEMBL30224773 0.82 FBP1 (0.38) XDHFBP1F2RL3
SCHEMBL30224797 0.81 ALDH1A1 (0.37) XDHFBP1PTGESF2RL3
SCHEMBL30224933 0.79 NPY5R (0.39) XDHFBP1F2RL3
SCHEMBL27237586 0.79 NPY5R (0.39) XDHFBP1F2RL3

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
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed