SCHEMBL11523710

SCHEMBL11523710

N#CCC(=O)c1c(N)ccc(N)c1C(=O)CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
KDM4E B2RXH2 4/20 0.38
MAPT P10636 6/20 0.37
KCNH2 Q12809 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
RECQL P46063 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP19A1 P11511 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9693886 0.74 MAPT (0.49) MCL1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8610853 0.72 CYP19A1 (0.51) MCL1KDM4EMAPTKCNH2MEN1
SCHEMBL11526220 0.72 MCL1 (0.39) MCL1ALDH1A1SMN1; SMN2HK1HKDC1
SCHEMBL395103 0.72 GSK3B (0.48) MCL1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2088995 0.71 KCNH2 (0.45) MCL1ALDH1A1SMN1; SMN2HK1HKDC1
SCHEMBL7001279 0.71 CES2 (0.50) MCL1ALDH1A1SMN1; SMN2HK1HKDC1
SCHEMBL2071218 0.71 FEN1 (0.52) MCL1ALDH1A1SMN1; SMN2HK1HKDC1
SCHEMBL8600853 0.70 GSK3B (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL1554080 0.69 CES2 (0.39) MCL1ALDH1A1SMN1; SMN2HK1HKDC1
SCHEMBL25992037 0.68 MCL1 (0.39) MCL1ALDH1A1SMN1; SMN2HK1HKDC1

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-4165319-A Isoindoline pigments CIBA-GEIGY CORPORATION (US) 1979-08-21 US disclosed