SCHEMBL5455503

SCHEMBL5455503

S=C(NCc1ccccc1)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
GAA P10253 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
THPO P40225 1/20 0.64
MTOR P42345 1/20 0.64
HTT P42858 1/20 0.64

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
SCHEMBL1520344 0.86 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL1520725 0.84 NPC1 (0.53) KDM4ESMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL6959149 0.83 SMN1; SMN2 (0.61) KDM4ESMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL3510455 0.82 KDM4E (0.79) KDM4ESMN1; SMN2LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL18605769 0.81 KDM4E (0.77) KDM4ESMN1; SMN2LMNANPC1RAB9A
Benzene SCHEMBL28126190 0.80 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL1520127 0.79 GLA (0.68) KDM4ESMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL1321656 0.78 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MEN1GAAKMT2A
SCHEMBL8687284 0.78 RAB9A (0.58) KDM4ESMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL31060951 0.78 ALDH1A1 (0.60) KDM4ESMN1; SMN2ALDH1A1MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed