SCHEMBL24944865

SCHEMBL24944865

Cc1ccc(-n2ccnc2SCc2ccc(F)c(C#N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
ALOX15B O15296 3/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 3/20 0.41
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL24944939 0.89 CYP1A2 (0.59) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24943943 0.80 L3MBTL1 (0.61) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24945041 0.76 L3MBTL1 (0.77) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24944942 0.74 L3MBTL1 (0.60) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11377342 0.69 POLB (0.54) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24943934 0.67 L3MBTL1 (0.77) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24944906 0.66 CYP1A2 (1.00) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24945136 0.65 L3MBTL1 (0.65) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8224122 0.65 CYP2A6 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL25545138 0.65 TP53 (0.57) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9

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