SCHEMBL9737760

SCHEMBL9737760

CC(C)N(C(=O)c1cccnc1Cl)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
EGFR P00533 4/20 0.46
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RIPK1 Q13546 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KMT2A Q03164 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
SCHEMBL14626001 0.81 RIPK1 (0.43) LMNASMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL4406065 0.81 NAPRT (0.58) LMNASMN1; SMN2ALDH1A1NPC1L3MBTL1
SCHEMBL2201670 0.81 SMN1; SMN2 (0.61) LMNASMN1; SMN2EGFRPOLBHTT
SCHEMBL5787503 0.81 RIPK1 (0.40) LMNASMN1; SMN2EGFRALDH1A1NPC1
SCHEMBL10640376 0.80 SMN1; SMN2 (0.40) LMNASMN1; SMN2EGFRPOLBHTT
SCHEMBL8301115 0.79 LMNA (0.54) LMNASMN1; SMN2EGFRPOLBHTT
SCHEMBL8067070 0.78 LMNA (0.58) LMNASMN1; SMN2EGFRPOLBHTT
SCHEMBL9735902 0.78 MAPT (0.44) LMNASMN1; SMN2POLBHTTALDH1A1
SCHEMBL13415863 0.77 LMNA (0.61) LMNASMN1; SMN2EGFRPOLBHTT
SCHEMBL10517816 0.77 RIPK1 (0.42) LMNASMN1; SMN2POLBHTTALDH1A1

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-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed