SCHEMBL21783693

SCHEMBL21783693

CN(N)c1c(N)cccc1C(C(=O)O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRK1 P41145 1/20 0.35
ATM Q13315 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21783729 0.77 KEAP1 (0.31) ATM
SCHEMBL2549619 0.71 LMNA (0.60) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL2547997 0.70 GAA (0.61) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL21783632 0.68 CYP3A4 (0.40) LMNAMEN1KMT2AALDH1A1CYP3A4
SCHEMBL27974791 0.68 GAA (0.58) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL28012305 0.68 GAA (0.54) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL303839 0.67 GAA (0.61) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL1829881 0.67 GAA (0.61) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL21784698 0.65 LMNA (0.55) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL2227113 0.65 LMNA (0.96) LMNAGAAMEN1KMT2AALDH1A1

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-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed