SCHEMBL8872076

SCHEMBL8872076

Cn1nc(C(F)(F)F)cc1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS1 P23219 2/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL16487838 0.77 PTGS1 (0.51) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL938217 0.76 RAB9A (0.40) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL2611106 0.76 PKM (0.45) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL3279759 0.76 KDM4E (0.42) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL365942 0.76 RAB9A (0.40) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL365941 0.74 KDM4E (0.44) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL16347374 0.74 PTGS1 (0.39) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL1463361 0.74 HDAC3 (0.41) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL946905 0.74 KMT2A (0.45) RAB9ANPC1HDAC3HDAC4HDAC1
SCHEMBL16705384 0.74 RAB9A (0.42) RAB9ANPC1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143026-B1 COMPOUNDS AND COMPOSITIONS FOR INDUCING CHONDROGENESIS NOVARTIS AG (CH) 2024-07-10 EP disclosed
US-5698495-A Herbicidal substituted pyrazole compounds ZENECA LIMITED (GB) 1997-12-16 US disclosed