SCHEMBL30848965

SCHEMBL30848965

COCCOCc1cc([N+](=O)[O-])c2[nH]cc(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
NQO2 P16083 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM4E B2RXH2 2/20 0.35
F2RL3 Q96RI0 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
FBP1 P09467 3/20 0.32
VCAM1 P19320 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CD38 P28907 1/20 0.31
CHEK1 O14757 1/20 0.31
XDH P47989 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL30224768 0.88 LMNA (0.36) LMNANQO2MTNR1AMTNR1BKDM4E
SCHEMBL30849019 0.83 F2RL3 (0.42) LMNANQO2MTNR1AMTNR1BF2RL3
SCHEMBL30848970 0.78 REN (0.31)
SCHEMBL24988935 0.78 LMNA (0.35) LMNAF2RL3ALDH1A1MAPTMAPK1
SCHEMBL8848629 0.72 XDH (0.45) KDM4EALDH1A1MAPTMAPK1HPGD
SCHEMBL27237622 0.71 DYRK1A (0.43) NQO2MTNR1AMTNR1BF2RL3ALDH1A1
SCHEMBL30848953 0.70 F2RL3 (0.41) KDM4EF2RL3ALDH1A1MAPTFBP1
SCHEMBL27237592 0.70 F2RL3 (0.41) KDM4EF2RL3ALDH1A1MAPTFBP1
SCHEMBL30224926 0.69 KIT (0.37) CD38
SCHEMBL30224960 0.69 ALDH1A1 (0.33) LMNAKDM4EALDH1A1MAPTHPGD

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