SCHEMBL334912

SCHEMBL334912

CCc1ccc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.40
F3 P13726 1/20 0.40
ACP1 P24666 1/20 0.39
FOLR1 P15328 1/20 0.38
SLC46A1 Q96NT5 1/20 0.38
TYMS P04818 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
ABL1 P00519 1/20 0.37
FABP6 P51161 1/20 0.37
HDAC1 Q13547 3/20 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
SCHEMBL335599 0.88 RAB9A (0.44) F7F3ACP1TYMSKMT2A
SCHEMBL335890 0.87 ACP1 (0.40) F7F3ACP1TYMSKMT2A
SCHEMBL335501 0.85 NPC1 (0.43) F7F3ACP1TYMSRAB9A
SCHEMBL335570 0.84 PIN1 (0.47) ACP1RAB9AMAPTABL1FABP6
SCHEMBL335286 0.84 ACP1 (0.42) F7F3ACP1TYMSKMT2A
SCHEMBL15282212 0.84 ACP1 (0.46) F7F3ACP1KMT2AMEN1
SCHEMBL15282285 0.84 ACP1 (0.46) F7F3ACP1KMT2AMEN1
SCHEMBL335244 0.82 MAPT (0.41) ACP1KMT2ARAB9ANPC1KDM4E
SCHEMBL336014 0.82 ABL1 (0.41) F7F3ACP1TYMSSMN1; SMN2
SCHEMBL336367 0.82 MAPT (0.47) F7ACP1TYMSRAB9ANPC1

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