SCHEMBL335286

SCHEMBL335286

Cc1csc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ABL1 P00519 1/20 0.39
FABP6 P51161 1/20 0.39
APAF1 O14727 2/20 0.38
TYMS P04818 2/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NR2E3 Q9Y5X4 2/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL15282212 0.87 ACP1 (0.46) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL15282285 0.87 ACP1 (0.46) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL335141 0.85 ABL1 (0.40) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL334912 0.84 F7 (0.40) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL335570 0.84 PIN1 (0.47) ACP1MAPTRAB9ACASP3SENP8
SCHEMBL336031 0.84 ABL1 (0.41) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL335599 0.84 RAB9A (0.44) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL335890 0.84 ACP1 (0.40) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL335694 0.84 SMN1; SMN2 (0.39) ACP1MAPTRAB9AKMT2AMEN1
SCHEMBL335244 0.84 MAPT (0.41) ACP1MAPTRAB9AKMT2AGAA

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