SCHEMBL24313612

SCHEMBL24313612

CCOc1ccc(OC(F)(F)F)cc1I

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
S1PR1 P21453 1/20 0.43
TACR1 P25103 1/20 0.40
GRM7 Q14831 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
HCRTR1 O43613 9/20 0.39
HCRTR2 O43614 9/20 0.39
GPR3 P46089 1/20 0.39
PDE2A O00408 1/20 0.38
BRD4 O60885 1/20 0.38
NQO1 P15559 1/20 0.38
KCNB1 Q14721 1/20 0.37

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
SCHEMBL17484615 0.87 PPARA (0.42) L3MBTL1GRM7GPR3
SCHEMBL6199816 0.82 FFAR4 (0.39) GPR3
SCHEMBL16953616 0.81 PPARD (0.47) L3MBTL1S1PR1TACR1LMNAMAPT
SCHEMBL6417045 0.81 GPR3 (0.42) GRM7HCRTR1HCRTR2GPR3
SCHEMBL8148399 0.80 S1PR1 (0.46) L3MBTL1S1PR1TACR1GRM7LMNA
SCHEMBL20652692 0.80 KDM4E (0.51) L3MBTL1S1PR1TACR1GRM7MAPT
SCHEMBL16953615 0.80 S1PR1 (0.43) L3MBTL1S1PR1TACR1GRM7LMNA
SCHEMBL15515783 0.79 MAPT (0.47) LMNAMAPTATMNQO1
SCHEMBL25354042 0.78 PPARD (0.51)
SCHEMBL5785776 0.78 FFAR1 (0.50)

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