SCHEMBL8075987

SCHEMBL8075987

NN=Cc1ccc(NC(=O)CCC(=O)Nc2cccnc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL6983379 0.81 ITGB3 (0.69) KMT2ATDP1
SCHEMBL6978278 0.81 KMT2A (0.47) KMT2ATDP1POLBMAPTHPGD
SCHEMBL6980785 0.79 CA12 (0.59) KMT2ASMN1; SMN2POLBMAPTHPGD
Hydrochloric Acid SCHEMBL6983894 0.78 CA12 (0.57) KMT2ASMN1; SMN2POLBMAPTHPGD
SCHEMBL8072019 0.78 ITGB3 (0.47) KMT2ASMN1; SMN2TDP1POLBMAPT
SCHEMBL3093136 0.78 KMT2A (0.55) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL28030360 0.78 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL3081465 0.78 KMT2A (0.55) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL3913781 0.77 HDAC3 (0.68) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5356584 0.76 SMN1; SMN2 (0.73) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP claimed