SCHEMBL25545138

SCHEMBL25545138

CCSc1nccn1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
L3MBTL1 Q9Y468 5/20 0.52
CYP1A2 P05177 5/20 0.52
CYP3A4 P08684 5/20 0.52
CYP2D6 P10635 5/20 0.52
CYP2C9 P11712 5/20 0.52
CYP2C19 P33261 5/20 0.52
GAA P10253 3/20 0.52
ALOX15B O15296 3/20 0.52
LMNA P02545 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 3/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11386185 0.85 CYP1A2 (0.51) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL11377342 0.85 POLB (0.54) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL22471127 0.83 NR4A1 (0.62) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL25545181 0.83 TP53 (0.51) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL11376841 0.81 CYP1A2 (0.57) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL24943943 0.81 L3MBTL1 (0.61) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL24943934 0.77 L3MBTL1 (0.77) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL18418799 0.74 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL11381134 0.73 CYP1A2 (0.52) TP53THRBSMN1; SMN2L3MBTL1CYP1A2
SCHEMBL6608437 0.73 NOTUM (0.41) TP53THRBSMN1; SMN2CYP1A2CYP3A4

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-2023081967-A1 COMPOUNDS AND USES THEREFOR THE UNIVERSITY OF WESTERN AUSTRALIA (AU) 2023-05-19 WO disclosed