SCHEMBL31322467

SCHEMBL31322467

NC(=S)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.47
KAT6A Q92794 4/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HSD11B1 P28845 1/20 0.41
GRIN2B Q13224 1/20 0.41
MGLL Q99685 1/20 0.40
MAOB P27338 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL23062938 1.00 F10 (0.47) F10KAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL29448761 0.82 PARP1 (0.61) F10KAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL8810191 0.82 F10 (0.64) F10
SCHEMBL711132 0.82 PARP1 (0.61) F10KAT6ATAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL1268771 0.81 PARP1 (0.59) F10KAT6ATAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL1085083 0.81 F10 (0.62) F10
SCHEMBL1580873 0.79 KAT6A (0.46) F10KAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL1580875 0.79 KAT6A (0.46) F10KAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL29478758 0.79 KAT6A (0.46) F10KAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL12322885 0.78 KAT6A (0.45) F10KAT6ATAS1R3TAS1R1TAS1R2

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
CN-112119076-B Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors 默沙东有限责任公司 2025-01-10 CN disclosed