SCHEMBL817759

SCHEMBL817759

C(=CC1CN1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
MAOB P27338 2/20 0.44
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11539272 0.85 KDM1A (0.42) KDM1AMAOBHDAC3TNKSHDAC4
SCHEMBL27578772 0.83 KDM1A (0.53) KDM1AMAOBHDAC3TNKSHDAC4
SCHEMBL28747015 0.79 KDM1A (0.41) KDM1AMAOBLMNAMAPTHTT
SCHEMBL27647330 0.79 KDM1A (0.41) KDM1AHDAC3TNKSHDAC4HDAC1
SCHEMBL27494707 0.79 KDM1A (0.41) KDM1AHDAC3TNKSHDAC4HDAC1
SCHEMBL20669581 0.78 NFE2L2 (0.43) MAOBLMNAMEN1MAPTRAB9A
SCHEMBL23064603 0.78 KHK (0.48) KDM1A
SCHEMBL5530870 0.78 KHK (0.48) KDM1A
SCHEMBL23064604 0.78 KHK (0.48) KDM1A
SCHEMBL27576477 0.78 KDM1A (0.40) KDM1AMAOBLMNAMEN1MAPT

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-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed