SCHEMBL28780171

SCHEMBL28780171

Cn1nc(C(F)(F)F)cc1C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL2523217 0.81 RAB9A (0.39) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL29170025 0.81 RAB9A (0.36) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL27761426 0.75 LMNA (0.37) ALDH1A1LMNA
SCHEMBL16487838 0.73 PTGS1 (0.51) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL365942 0.71 RAB9A (0.40) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL3279759 0.71 KDM4E (0.42) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL938217 0.71 RAB9A (0.40) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL2611106 0.71 PKM (0.45) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL25588595 0.71 RAB9A (0.37) RAB9ANPC1PTGS1KMT2AALOX5
SCHEMBL946905 0.69 KMT2A (0.45) RAB9ANPC1PTGS1KMT2AALOX5

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
CN-101511818-B N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA AGRITECHNO CO LTD 2013-05-08 — — CN disclosed
CN-101511818-A N-pyridylpiperidine compound, method for producing the same, and pest control agent OTSUKA CHEMICAL CO LTD (JP) 2009-08-19 — — CN disclosed
Send feedback