SCHEMBL5664584

SCHEMBL5664584

CC(NC(=O)[CH]c1ccccn1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.38
OPRK1 P41145 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 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
SCHEMBL5664722 0.79 ALDH1A1 (0.40) KDM4ELMNAL3MBTL1ALDH1A1HPGD
SCHEMBL4198308 0.76 TDP1 (0.44) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1516264 0.76 NPC1 (0.45) KDM4ELMNAL3MBTL1ALDH1A1HPGD
SCHEMBL1515297 0.76 L3MBTL1 (0.54) KDM4ELMNAL3MBTL1ALDH1A1MEN1
SCHEMBL176731 0.75 MEN1 (0.56) KDM4ELMNAL3MBTL1ALDH1A1HPGD
SCHEMBL29686686 0.72 RAB9A (0.54) LMNAALDH1A1MEN1KMT2ANPC1
SCHEMBL16532701 0.71 TUBB4A (0.49) KDM4ELMNAL3MBTL1ALDH1A1HPGD
SCHEMBL5664580 0.71 HDAC3 (0.45) KDM4ELMNAL3MBTL1ALDH1A1HPGD
SCHEMBL5666957 0.70 HDAC3 (0.43) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL22346302 0.70 FDPS (0.51) LMNAALDH1A1MEN1KMT2ANPC1

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-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 WO disclosed