SCHEMBL13655387

SCHEMBL13655387

CCCCNC(=S)NC(CC)Cc1ccnc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PABPC1 P11940 1/20 0.46
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
ALOX12 P18054 1/20 0.35
ACACB O00763 1/20 0.35
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13655383 0.75 LOX (0.42) MEN1KMT2ALOXLOXL2MAPT
SCHEMBL13975843 0.73 LOX (0.53) LOXLOXL2SMN1; SMN2POLB
SCHEMBL14860713 0.70 LOX (0.47) LOXLOXL2ACACB
SCHEMBL13655319 0.67 LOXL2 (0.60) LOXLOXL2ACACB
SCHEMBL12093674 0.66 LOXL2 (0.62) LOXLOXL2SMN1; SMN2ACACBPOLB
SCHEMBL21227109 0.66 LOX (0.54) LOXLOXL2ALOX12ACACB
SCHEMBL19492384 0.65 LOX (0.57) LOXLOXL2
SCHEMBL12093688 0.65 LOXL2 (0.61) LOXLOXL2ACACB
SCHEMBL21591538 0.65 GSK3A (0.50) LOXLOXL2POLB
SCHEMBL2140980 0.64 LOX (0.46) LOXLOXL2ACACB

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-1450750-B1 USE OF 2-AMINO-4-PYRIDYLMETHYL-THIAZOLINE DERIVATIVES AS INHIBITORS OF INDUCIBLE NO-SYNTHASE AVENTIS PHARMA SA (FR) 2009-10-21 EP disclosed