SCHEMBL8038447

SCHEMBL8038447

O=C(Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
MAPT P10636 6/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
HSD17B10 Q99714 3/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 2/20 0.49

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
SCHEMBL8033004 0.93 HDAC3 (0.50) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8030835 0.85 USP2 (0.50) HDAC1HDAC3HDAC2HSD17B10USP2
SCHEMBL8040684 0.85 HDAC1 (0.53) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8039052 0.82 HDAC1 (0.46) HDAC1MAPTMAPK1
SCHEMBL8038398 0.81 TMIGD3 (0.46) HDAC1MAPTMAPK1
SCHEMBL8038965 0.81 TMIGD3 (0.50) MAPTSMN1; SMN2KMT2AMAPK1
SCHEMBL28428243 0.81 ADORA3 (0.56) MAPTSMN1; SMN2MAPK1LMNAKDM4E
SCHEMBL8034917 0.79 GPR119 (0.54) MAPTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL8032750 0.78 ADORA3 (0.49) MAPTMAPK1LMNAKDM4E
SCHEMBL8021617 0.76 TMIGD3 (0.45) MAPTSMN1; SMN2KMT2AMAPK1LMNA

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
WO-2009099177-A1 AMINO IMIDAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 WO disclosed