SCHEMBL30668656

SCHEMBL30668656

Nc1cccc2c1CCN=C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.35
HTR2C P28335 1/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GID4 Q8IVV7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PIK3CA P42336 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
SCHEMBL16132820 1.00 CD44 (0.35) CD44HTR2CPARP1ALDH1A1HPGD
SCHEMBL16246590 0.76 TRPA1 (0.44) HTR2CGID4
SCHEMBL30024154 0.76 HTR5A (0.35) HTR2C
SCHEMBL9573136 0.76 HTR2C (0.36) HTR2CTSHR
SCHEMBL9582682 0.76 HTR2C (0.36) HTR2CPARP1ALDH1A1
SCHEMBL30379751 0.76 HTR2C (0.36) HTR2CTSHR
SCHEMBL30834466 0.76 TRPA1 (0.44) HTR2CGID4
SCHEMBL17103887 0.76 HTR5A (0.35) HTR2C
SCHEMBL13791331 0.75 HTR2C (0.33) HTR2C
SCHEMBL9573153 0.73 HTR2C (0.55) HTR2C

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-113226035-B Xanthene compounds and their use as antifouling agents 海洋与环境研究交叉学科中心 2023-10-31 CN claimed