SCHEMBL2515395

SCHEMBL2515395

CCN(C(=S)Nc1ccccn1)c1cnc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATG4B Q9Y4P1 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 6/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL2515397 0.85 KDM4E (0.47) ATG4BKDM4EALDH1A1GAARAB9A
SCHEMBL9837446 0.81 KDM4E (0.39) NPSR1KDM4EALDH1A1GAARAB9A
SCHEMBL10873252 0.71 RAB9A (0.47) ATG4BNPSR1KDM4EALDH1A1GAA
SCHEMBL2680073 0.69 RAB9A (0.56) ATG4BNPSR1KDM4EALDH1A1GAA
SCHEMBL28585105 0.67 PDE10A (0.47) NPSR1KDM4EALDH1A1GAARAB9A
SCHEMBL8655973 0.67 MEN1 (0.63) KDM4EALDH1A1GAARAB9ANPC1
SCHEMBL11359764 0.66 RAB9A (0.49) ATG4BNPSR1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL28608866 0.66 PDE10A (0.46) NPSR1KDM4EALDH1A1GAARAB9A
SCHEMBL3859410 0.65 RAB9A (0.69) KDM4EGRM5ALDH1A1GAARAB9A
SCHEMBL7029896 0.64 PDE10A (0.38) NPSR1KDM4EALDH1A1GAARAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 — — EP disclosed
US-8030047-B2 Active truncated form of the RNA polymerase of flavivirus CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2011-10-04 — — US disclosed
US-20100267113-A1 ACTIVE TRUNCATED FORM OF THE RNA POLYMERASE OF FLAVIVIRUS CENTRE NAT DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-10-21 — — US disclosed
US-20090221795-A1 ACTIVE TRUNCATED FORM OF THE RNA POLYMERASE OF FLAVIVIRUS CENTRE NAT DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-09-03 — — US disclosed
US-7459297-B2 Active truncated form of the RNA polymerase of flavivirus CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS (FR) 2008-12-02 — — US disclosed
US-20050048472-A1 Active truncated form of the RNA polymerase of flavivirus CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2005-03-03 — — US disclosed
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