SCHEMBL16404150

SCHEMBL16404150

COC(=O)CN(C)C(=O)c1cc(-c2csc(C)n2)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.42
▸ NPC1 O15118 9/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ GSTO1 P78417 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ CASP2 P42575 1/20 0.36
▸ BLM P54132 1/20 0.35

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
SCHEMBL16404071 0.88 RAB9A (0.40) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16403920 0.88 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14224988 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14224974 0.83 ALDH1A1 (0.39) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14224958 0.83 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16403981 0.82 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14325787 0.82 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL16403987 0.80 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL16404149 0.80 NPC1 (0.46) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14325805 0.77 RAB9A (0.39) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
Send feedback