SCHEMBL24869554

SCHEMBL24869554

CC(C)c1cnc2sc(Cl)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.34
KMT2A Q03164 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SCN4A P35499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 1/20 0.31
PAX8 Q06710 1/20 0.31
NOD2 Q9HC29 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12269117 0.81 HRH4 (0.35) HDAC6RAB9ANPC1SCN4ASMN1; SMN2
SCHEMBL19341416 0.76 KMT2A (0.34) KMT2ASMN1; SMN2KCNH2ALDH1A1
SCHEMBL368876 0.73 KMT2A (0.33) KMT2A
SCHEMBL360056 0.73 KMT2A (0.33) KMT2A
SCHEMBL359349 0.73 DYRK1A (0.36) KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL21206606 0.72 AADAT (0.36) KMT2ARAB9ANPC1SCN4ASMN1; SMN2
SCHEMBL22758276 0.69 PIK3CD (0.32) KCNH2HRH4HRH3
SCHEMBL20685684 0.69 GRM5 (0.34) KMT2A
SCHEMBL31456669 0.69 KMT2A (0.34) KMT2A
SCHEMBL21481142 0.68 KCNH2 (0.30) KCNH2HRH4HRH3

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed