SCHEMBL24988935

SCHEMBL24988935

COCCOCc1cc([N+](=O)[O-])c2[nH]ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
XDH P47989 1/20 0.35
FBP1 P09467 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
CHEK1 O14757 1/20 0.33
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
PTGES O14684 1/20 0.32
HCAR3 P49019 2/20 0.32
VCAM1 P19320 1/20 0.32
HPGD P15428 1/20 0.32
CD38 P28907 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 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
SCHEMBL30848965 0.78 LMNA (0.38) LMNAXDHFBP1F2RL3CHEK1
SCHEMBL27237592 0.77 F2RL3 (0.41) XDHFBP1F2RL3ALDH1A1MAPT
SCHEMBL30848953 0.77 F2RL3 (0.41) XDHFBP1F2RL3ALDH1A1MAPT
SCHEMBL30224929 0.76 XDH (0.37) LMNAXDHFBP1F2RL3CHEK1
SCHEMBL30224943 0.76 F2RL3 (0.40) LMNAXDHFBP1F2RL3CHEK1
SCHEMBL30224768 0.76 LMNA (0.36) LMNAFBP1F2RL3CHEK1ALDH1A1
SCHEMBL27237602 0.76 IKBKB (0.42) XDHFBP1ALDH1A1MAPT
SCHEMBL30224871 0.76 FBP1 (0.36) XDHFBP1ALDH1A1MAPTHPGD
SCHEMBL22658346 0.74 FBP1 (0.39) LMNAXDHFBP1ALDH1A1MAPT
SCHEMBL30849019 0.74 F2RL3 (0.42) LMNAF2RL3CHEK1ALDH1A1MAPK1

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