SCHEMBL24944902

SCHEMBL24944902

FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 1.00
ALOX15B O15296 3/20 1.00
CYP1A2 P05177 6/20 0.73
CYP3A4 P08684 6/20 0.73
CYP2D6 P10635 6/20 0.73
CYP2C9 P11712 6/20 0.73
CYP2C19 P33261 6/20 0.73
GAA P10253 2/20 0.73
SMN1; SMN2 Q16637 3/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX12 P18054 1/20 0.47
DRD2 P14416 1/20 0.46
POLB P06746 1/20 0.45
OPRK1 P41145 2/20 0.44

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
SCHEMBL24945041 0.87 L3MBTL1 (0.77) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24943934 0.86 L3MBTL1 (0.77) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24944906 0.85 CYP1A2 (1.00) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24944905 0.83 CYP3A4 (1.00) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24945027 0.81 CYP1A2 (0.78) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24945136 0.76 L3MBTL1 (0.65) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24461946 0.75 ALOX15B (0.60) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24461959 0.75 ALOX15B (0.60) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL6765169 0.75 CYP1A2 (0.67) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6
SCHEMBL24461943 0.74 ALOX15B (0.59) L3MBTL1ALOX15BCYP1A2CYP3A4CYP2D6

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
WO-2023009347-A1 COMPOUNDS FOR MODULATING EPITHELIAL 15-(S)-LIPOXYGENASE-2 AND METHODS OF USE FOR SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-02 WO disclosed