SCHEMBL4433283

SCHEMBL4433283

NCCc1cc2ccc(F)cc2nc1-c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TAAR1 Q96RJ0 4/20 0.41
DPP4 P27487 4/20 0.40
MAOB P27338 2/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.38
HSD11B1 P28845 1/20 0.37
PDE2A O00408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
IDO1 P14902 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL4184832 0.91 DPP4 (0.47) KDM4EALDH1A1GLADPP4ACHE
SCHEMBL4435974 0.88 KDM4E (0.45) KDM4EALDH1A1GLADPP4ACHE
SCHEMBL19331494 0.82 DHODH (0.41) KDM4EALDH1A1TAAR1DPP4IDO1
SCHEMBL4443375 0.82 SMN1; SMN2 (0.42) KDM4EALDH1A1ACHEPDE10AMAPK11
SCHEMBL15320830 0.81 PIK3CD (0.48) HSD11B1PDE2A
SCHEMBL4191733 0.80 DPP4 (0.47) KDM4EALDH1A1GLADPP4ACHE
SCHEMBL19331478 0.78 TAAR1 (0.47) KDM4ETAAR1DPP4IDO1KMT2A
SCHEMBL4178581 0.78 DPP4 (0.48) KDM4EALDH1A1GLATAAR1DPP4
SCHEMBL15320225 0.78 PIK3CD (0.43) KDM4EALDH1A1GAA
SCHEMBL16597047 0.78 MBNL1 (0.54) KDM4EALDH1A1GLAACHEBACE1

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-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed