SCHEMBL24944906

SCHEMBL24944906

CCc1ccc(CSc2nccn2-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 1.00
CYP3A4 P08684 6/20 1.00
CYP2D6 P10635 6/20 1.00
CYP2C9 P11712 6/20 1.00
CYP2C19 P33261 6/20 1.00
L3MBTL1 Q9Y468 5/20 1.00
ALOX15B O15296 3/20 1.00
GAA P10253 2/20 1.00
SMN1; SMN2 Q16637 3/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 6/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 3/20 0.50
ALOX12 P18054 1/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL24945027 0.87 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24944905 0.87 CYP3A4 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24943934 0.87 L3MBTL1 (0.77) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24944902 0.85 L3MBTL1 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6765169 0.81 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24945136 0.79 L3MBTL1 (0.65) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24945135 0.78 L3MBTL1 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24945138 0.77 CYP1A2 (1.00) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24943943 0.76 L3MBTL1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24944942 0.75 L3MBTL1 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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