SCHEMBL30224871

SCHEMBL30224871

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.36
DBH P09172 1/20 0.34
ALDH1A1 P00352 2/20 0.33
APEX1 P27695 2/20 0.33
XDH P47989 1/20 0.33
P2RX7 Q99572 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
PLCG2 P16885 1/20 0.31
GFER P55789 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL27237602 0.84 IKBKB (0.42) FBP1DBHALDH1A1APEX1XDH
SCHEMBL22658346 0.83 FBP1 (0.39) FBP1DBHALDH1A1APEX1XDH
SCHEMBL1983087 0.79 S100A4 (0.40) FBP1ALDH1A1APEX1SMN1; SMN2KDM4E
SCHEMBL18825065 0.79 GPR84 (0.39) FBP1ALDH1A1CYP3A4MAPTNPSR1
SCHEMBL1423220 0.77 TDP1 (0.43) ALDH1A1APEX1SMN1; SMN2KDM4EMEN1
Ethoxycarbonyl Group SCHEMBL27809829 0.76 FBP1 (0.33) FBP1ALDH1A1XDHMAPTHPGD
SCHEMBL2768545 0.76 GRIN2D (0.49) ALDH1A1APEX1SMN1; SMN2POLBKDM4E
SCHEMBL30978917 0.76 HRH4 (0.44) FBP1ALDH1A1PLCG2IKBKBCHUK
SCHEMBL24988935 0.76 LMNA (0.35) FBP1ALDH1A1XDHGFERMEN1
SCHEMBL18825089 0.72 ALDH1A1 (0.46) FBP1ALDH1A1XDHPOLBKDM4E

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