SCHEMBL24314191

SCHEMBL24314191

CCOc1c(F)cccc1SCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 2/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TUBB1 Q9H4B7 1/20 0.31
NQO1 P15559 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL21859573 0.84 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4ELMNAGAA
SCHEMBL24313610 0.82 L3MBTL1 (0.39) L3MBTL1ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL1547887 0.80 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EHCRTR1HCRTR2
SCHEMBL12129077 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EPOLBGAA
SCHEMBL13696460 0.73 ACHE (0.44) L3MBTL1KDM4ELMNACYP1A2CYP2D6
SCHEMBL1405871 0.73 L3MBTL1 (0.56) L3MBTL1ALDH1A1KDM4EPOLBLMNA
SCHEMBL23251431 0.72 L3MBTL1 (0.43) L3MBTL1ALDH1A1KDM4EPOLBLMNA
SCHEMBL22366691 0.72 ALDH1A1 (0.48) L3MBTL1ALDH1A1KDM4EPOLBLMNA
SCHEMBL1618282 0.72 L3MBTL1 (0.42) L3MBTL1ALDH1A1KDM4ELMNAGAA
SCHEMBL8214668 0.72 L3MBTL1 (0.42) L3MBTL1ALDH1A1KDM4EHCRTR1HCRTR2

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
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed