SCHEMBL27904403

SCHEMBL27904403

CCCOC(=O)N(N1CCCCC1=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MITF O75030 1/20 0.32
PER2 O15055 2/20 0.31
LMNA P02545 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL909008 0.76 MITF (0.37) SMN1; SMN2MITFPER2LMNA
SCHEMBL20553757 0.69 LMNA (0.44) SMN1; SMN2TP53HPGDMITFLMNA
SCHEMBL27731773 0.66 MITF (0.34) SMN1; SMN2HPGDMITFPER2
SCHEMBL27648790 0.65 MITF (0.36) SMN1; SMN2HPGDMITFPER2
SCHEMBL6219776 0.64 LMNA (0.50) SMN1; SMN2TP53HPGDLMNACA12
SCHEMBL12084022 0.63 LMNA (0.39) SMN1; SMN2HPGDLMNA
SCHEMBL7097178 0.62 ALDH1A1 (0.39) LMNA
SCHEMBL27497087 0.62 MITF (0.35) SMN1; SMN2MITFLMNACA12CA1
SCHEMBL14495118 0.62 CHRNB2 (0.39) LMNA
SCHEMBL2785830 0.61 SMN1; SMN2 (0.45) SMN1; SMN2TP53HPGDMITFLMNA

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
CN-103068824-A Novel 3, 5-disubstituted-3H-imidazo [4,5-B ] pyridines and 3, 5-disubstituted-3H- [1,2,3] triazolo [4,5-B ] pyridine compounds as protein kinase modulators INDIAN INCOZEN THERAPEUTICS PVT LTD 2013-04-24 CN disclosed