SCHEMBL29185282

SCHEMBL29185282

CC(C)OCCOCc1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.42
CYP19A1 P11511 1/20 0.37
NR4A2 P43354 1/20 0.35
XDH P47989 2/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PPARG P37231 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
NPY5R Q15761 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
APEX1 P27695 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
PLCG2 P16885 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
SCHEMBL30848949 1.00 FBP1 (0.42) FBP1CYP19A1NR4A2XDHMEN1
SCHEMBL30224933 0.89 NPY5R (0.39) FBP1CYP19A1XDHMEN1KMT2A
SCHEMBL27237592 0.89 F2RL3 (0.41) FBP1CYP19A1NR4A2XDHMEN1
SCHEMBL27237586 0.89 NPY5R (0.39) FBP1CYP19A1XDHMEN1KMT2A
SCHEMBL30848953 0.89 F2RL3 (0.41) FBP1CYP19A1NR4A2XDHMEN1
SCHEMBL30224943 0.88 F2RL3 (0.40) FBP1CYP19A1XDHMEN1KMT2A
SCHEMBL27237621 0.87 FBP1 (0.40) FBP1CYP19A1XDHMEN1KMT2A
SCHEMBL31022480 0.86 CYP19A1 (0.41) FBP1CYP19A1XDHMEN1KMT2A
SCHEMBL31022509 0.85 FBP1 (0.39) FBP1CYP19A1XDHMEN1KMT2A
SCHEMBL31022482 0.85 CYP19A1 (0.40) FBP1CYP19A1XDHMEN1KMT2A

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