SCHEMBL28325372

SCHEMBL28325372

C=C(C)c1cccc(C(N)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.59
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PARP10 Q53GL7 6/20 0.47
PARP15 Q460N3 3/20 0.47
PARP14 Q460N5 2/20 0.46
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43

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
SCHEMBL167439 0.84 FURIN (0.43) TSHRMAPTTDP1L3MBTL1FURIN
SCHEMBL31021028 0.84 PARP1 (0.73) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL36694 0.84 PARP1 (0.73) PARP1TSHRPOLBCYP3A4MAPT
Acetic Acid SCHEMBL28255011 0.83 PARP1 (0.63) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL1086463 0.83 PARP1 (0.63) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL16957973 0.83 PARP1 (0.63) PARP1TSHRPOLBCYP3A4MAPT
SCHEMBL4105605 0.83 TDP1 (0.56) MAPTTDP1L3MBTL1MEN1KMT2A
SCHEMBL6252421 0.82 FURIN (0.41) TSHRMAPTTDP1L3MBTL1FURIN
SCHEMBL30834584 0.82 FURIN (0.41) TSHRMAPTTDP1L3MBTL1FURIN
SCHEMBL17421702 0.82 FURIN (0.41) TSHRMAPTTDP1L3MBTL1FURIN

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-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed
CN-110318290-A A kind of effective integrated AKD gluing reinforcing agent and preparation method thereof 上海镁锶钡实业有限公司 2019-10-11 CN disclosed