SCHEMBL30224916

SCHEMBL30224916

O=[N+]([O-])c1cc(CBr)cc2cc(-c3cccc(F)c3)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.35
AHR P35869 1/20 0.35
CNR1 P21554 3/20 0.35
THRB P10828 1/20 0.34
GFER P55789 1/20 0.34
CYP19A1 P11511 1/20 0.34
APEX1 P27695 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL30224753 0.88 FBP1 (0.44) FBP1MEN1KMT2APOLBNPC1
SCHEMBL22806895 0.87 CYP19A1 (0.46) FBP1MEN1KMT2APOLBNPC1
SCHEMBL30224797 0.81 ALDH1A1 (0.37) FBP1MEN1KMT2APOLBNPC1
SCHEMBL3007965 0.79 FBP1 (0.52) FBP1MEN1KMT2APOLBNPC1
SCHEMBL30848972 0.79 FBP1 (0.52) FBP1MEN1KMT2APOLBNPC1
SCHEMBL3004133 0.76 CYP19A1 (0.50) FBP1MEN1KMT2APOLBNPC1
SCHEMBL30849028 0.76 XDH (0.45) FBP1MEN1KMT2APOLBNPC1
SCHEMBL30848961 0.76 XDH (0.45) FBP1MEN1KMT2APOLBNPC1
SCHEMBL3008832 0.74 CYP19A1 (0.46) FBP1MEN1KMT2APOLBNPC1
SCHEMBL2995350 0.74 CYP19A1 (0.46) FBP1MEN1KMT2APOLBNPC1

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