SCHEMBL4969596

SCHEMBL4969596

COc1nc(C2CCN(C(=O)O)CC2)c2c(OC)cccc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMO Q99835 2/20 0.39
MAPK7 Q13164 3/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
CHRM4 P08173 2/20 0.39
HTR2B P41595 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4962523 0.78 JUND (0.53) MEN1KMT2AALDH1A1
SCHEMBL16702058 0.73 HTR2B (0.38) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL2637185 0.71 MEN1 (0.77) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL9320843 0.71 CDK9 (0.56) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL5765273 0.69 ALDH1A1 (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL19723016 0.68 DCPS (0.64) ALDH1A1
SCHEMBL21597925 0.68 HTR1A (0.53) MEN1KMT2ALMNAALDH1A1MAPK7
SCHEMBL6025660 0.67 ALDH1A1 (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL25380411 0.67 ELANE (0.47) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL30122619 0.67 KMT2A (0.49) MEN1KMT2AMAPTALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed