SCHEMBL8375299

SCHEMBL8375299

O=C(Nc1ccncn1)c1ccccc1SSc1ccccc1C(=O)Nc1ccncn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.64
CHRNB4 P30926 2/20 0.64
CHRNA3 P32297 2/20 0.64
CHRNA4 P43681 2/20 0.64
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KDR P35968 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL30338961 0.81 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL7098628 0.81 CHRNB2 (0.66) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL30339211 0.77 SMN1; SMN2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL8803532 0.77 MEN1 (0.44) MEN1KMT2ACA1CA2CA9
SCHEMBL30142760 0.77 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL25063312 0.77 SMN1; SMN2 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL24073677 0.77 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL8807003 0.76 CHRNB2 (0.64) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL16713265 0.72 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL2119604 0.71 CA1 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929114-A ADMINISTERING ANTIVIRAL COMPOUND WHICH EXTRUDES ZINC FROM NUCLEOCAPSID PROTEIN OF HUMAN IMMUNODEFICIENCY VIRUS WARNER-LAMBERT COMPANY (US) 1999-07-27 US disclosed
US-5734081-A Arylthio compounds WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
US-5668291-A THIOSUBSTITUTED PYRIDINES, TREATMENT OF AIDS AND HIV WARNER-LAMBERT COMPANY (US) 1997-09-16 US disclosed