SCHEMBL335694

SCHEMBL335694

Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3csc4ccccc34)c3ccccc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
ACP1 P24666 1/20 0.39
CMA1 P23946 1/20 0.38
PIN1 Q13526 1/20 0.38
RAB9A P51151 5/20 0.37
MAPT P10636 2/20 0.37
ABL1 P00519 1/20 0.37
FABP6 P51161 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL335286 0.84 ACP1 (0.42) SMN1; SMN2ALDH1A1HPGDLMNAACP1
SCHEMBL335570 0.84 PIN1 (0.47) ACP1PIN1RAB9AMAPTABL1
SCHEMBL15282212 0.83 ACP1 (0.46) SMN1; SMN2ALDH1A1HPGDLMNAACP1
SCHEMBL15282285 0.83 ACP1 (0.46) SMN1; SMN2ALDH1A1HPGDLMNAACP1
SCHEMBL335582 0.82 TNIK (0.42) SMN1; SMN2ALDH1A1HPGDACP1RAB9A
SCHEMBL336031 0.82 ABL1 (0.41) SMN1; SMN2ALDH1A1HPGDLMNAACP1
SCHEMBL335244 0.82 MAPT (0.41) SMN1; SMN2ALDH1A1HPGDACP1PIN1
SCHEMBL336367 0.82 MAPT (0.47) SMN1; SMN2ALDH1A1LMNAACP1RAB9A
SCHEMBL335141 0.81 ABL1 (0.40) SMN1; SMN2ALDH1A1LMNAACP1RAB9A
SCHEMBL335948 0.81 ABL1 (0.45) SMN1; SMN2ALDH1A1LMNAACP1RAB9A

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed