SCHEMBL16404010

SCHEMBL16404010

Cc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1NC(=O)CN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.45
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
WNT3A P56704 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
WNT1 P04628 2/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EIF4E P06730 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL16404013 0.94 ATP4A (0.49) POLBKMT2AATP4AATP4BNPC1
SCHEMBL14224933 0.91 NPC1 (0.48) POLBKMT2AATP4AATP4BNPC1
SCHEMBL14224909 0.90 POLB (0.47) POLBKMT2AATP4AATP4BWNT3A
SCHEMBL14315467 0.88 MGLL (0.51) POLBKMT2AATP4AATP4BNPC1
SCHEMBL14318378 0.87 MGLL (0.50) POLBKMT2AATP4AATP4BNPC1
SCHEMBL16404015 0.87 ATP4A (0.48) POLBKMT2AATP4AATP4BNPC1
SCHEMBL14150274 0.86 JAK3 (0.51) POLBKMT2AATP4AATP4BNPC1
Hydrochloric Acid SCHEMBL14150343 0.85 JAK3 (0.51) POLBKMT2AATP4AATP4BNPC1
SCHEMBL14318313 0.85 JAK3 (0.51) POLBKMT2AATP4AATP4BNPC1
SCHEMBL16404017 0.84 ATP4A (0.45) POLBKMT2AATP4AATP4BNPC1

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