SCHEMBL29478248

SCHEMBL29478248

CC1=Nc2ccccc2C1(C)CCCCS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAD52 P43351 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL10037964 1.00 CASP3 (0.32) CASP3RAB9AATMNPSR1SENP8
SCHEMBL101535 0.96 CASP3 (0.32) CASP3RAB9AATMNPSR1SENP8
SCHEMBL560182 0.83 RXRA (0.30)
SCHEMBL997875 0.80 ACP1 (0.31)
SCHEMBL1715045 0.80 CASP3 (0.34) CASP3RAB9AATMNPSR1SENP8
SCHEMBL14048649 0.80 APEX1 (0.39) NPSR1
SCHEMBL24284312 0.79
SCHEMBL2066598 0.79 CA5A (0.35) TDP1MEN1KMT2A
SCHEMBL998618 0.79 MEN1 (0.31) MEN1KMT2A
SCHEMBL114709 0.79 RXRA (0.31)

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-108290870-B Polymethine compounds and their use as fluorescent markers 伊卢米纳剑桥有限公司 2022-04-26 CN disclosed