SCHEMBL31257892

SCHEMBL31257892

CC(C)(N)C#Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 4/20 0.41
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CYP2A6 P11509 1/20 0.35
▸ ADK P55263 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ MAOA P21397 1/20 0.32

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
SCHEMBL13597750 0.82 KCNH2 (0.44) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL31257852 0.80 CA12 (0.44) KCNH2MAPTSMN1; SMN2GRM5MEN1
SCHEMBL11217017 0.78 MAPT (0.55) KCNH2MAPTSMN1; SMN2GRM5MEN1
SCHEMBL31257842 0.78 APP (0.34) MAPTKMT2AAPP
SCHEMBL31257844 0.77 APP (0.50) SLC6A2HTR2AKCNH2MAPTSMN1; SMN2
SCHEMBL25304770 0.75 APP (0.57) KCNH2LMNAACACBSCN10AAPP
SCHEMBL31257793 0.75 KIF11 (0.42) MEN1KMT2A
SCHEMBL9610113 0.75 CYP3A4 (0.41) —
SCHEMBL11554460 0.74 MAPT (0.51) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28832028 0.73 KCNH2 (0.39) KCNH2MAPTSMN1; SMN2GRM5LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119264074-B 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-03-04 — — CN claimed
CN-119264074-A 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-01-07 — — CN claimed
CN-119264074-B 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-03-04 — — CN disclosed
CN-119264074-A 2, 4-Trimethyl thiazolidine derivative and synthetic method thereof 内蒙古工业大学 2025-01-07 — — CN disclosed
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