SCHEMBL30849043

SCHEMBL30849043

CCc1cc2cc(CCO)cc([N+](=O)[O-])c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.46
XDH P47989 2/20 0.41
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLCG2 P16885 1/20 0.33
APEX1 P27695 1/20 0.33
PIM3 Q86V86 1/20 0.32

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
SCHEMBL27237581 1.00 FBP1 (0.46) FBP1XDHTSHRGAAMAPT
SCHEMBL30224953 0.75 CYP19A1 (0.44) FBP1XDHTSHRALDH1A1MEN1
SCHEMBL18825093 0.70 GRIN2D (0.47) FBP1XDHTSHRGAAMAPT
SCHEMBL17867141 0.69 GPR35 (0.53) XDHTSHRMAPTKDM4EALDH1A1
SCHEMBL17865690 0.69 HRH4 (0.49) FBP1XDHTSHRMAPTKDM4E
SCHEMBL18825083 0.68 ALDH1A1 (0.46) MAPTALDH1A1KMT2A
SCHEMBL1278061 0.67 FBP1 (0.72) FBP1XDHHRH4PLCG2APEX1
Ammonia Solution, Strong SCHEMBL5983186 0.66 TSHR (0.47) FBP1TSHRMAPTALDH1A1MEN1
SCHEMBL31022564 0.65 FBP1 (0.39) FBP1XDHALDH1A1MEN1KMT2A
SCHEMBL30168082 0.65 TSHR (0.42) XDHTSHRKDM4EALDH1A1

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