SCHEMBL20156511

SCHEMBL20156511

CCC(=O)c1cc(C)c(C)cc1-n1nnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
KCNMA1 Q12791 1/20 0.48
MGAM O43451 9/20 0.46
AMY1A P0DUB6 9/20 0.46
SI P14410 9/20 0.46
MGAM2 Q2M2H8 9/20 0.46
TSHR P16473 2/20 0.45
KMT2A Q03164 1/20 0.44
SLC9A1 P19634 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL20156571 0.87 GAA (0.47) GAASMN1; SMN2RAB9ANPC1KCNMA1
SCHEMBL27984123 0.85 KCNMA1 (0.55) GAASMN1; SMN2RAB9ANPC1KCNMA1
SCHEMBL4209963 0.72 KCNMA1 (0.64) GAASMN1; SMN2RAB9AKCNMA1TSHR
SCHEMBL4497575 0.71 GAA (0.56) GAASMN1; SMN2RAB9ANPC1KCNMA1
SCHEMBL8262277 0.71 GAA (0.49) GAASMN1; SMN2RAB9ANPC1KCNMA1
SCHEMBL24060749 0.70 KCNMA1 (0.53) GAASMN1; SMN2RAB9AKCNMA1MGAM
SCHEMBL19092972 0.70 KCNMA1 (0.61) GAASMN1; SMN2RAB9ANPC1KCNMA1
SCHEMBL13772814 0.70 KCNMA1 (0.57) GAASMN1; SMN2RAB9AKCNMA1MGAM
SCHEMBL24633525 0.70 KCNMA1 (0.53) GAASMN1; SMN2RAB9ANPC1KCNMA1
SCHEMBL18899456 0.69 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1KCNMA1TSHR

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-2018089904-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2018-05-17 WO disclosed