SCHEMBL6962592

SCHEMBL6962592

O=C(NSc1nc2ccccc2s1)NC1CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CNR1 P21554 1/20 0.44
EPHX2 P34913 5/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 1/20 0.41
ADRA2A P08913 1/20 0.40
FBP1 P09467 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL6962440 0.86 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HPGDTDP1CNR1
SCHEMBL6963527 0.75 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1TDP1CNR1EPHX2
SCHEMBL9749994 0.75 POLB (0.55) SMN1; SMN2ALDH1A1HPGDTDP1POLB
SCHEMBL10640646 0.72 MAPT (0.60) SMN1; SMN2ALDH1A1HPGDTDP1POLB
SCHEMBL9667225 0.71 SMN1; SMN2 (0.67) SMN1; SMN2NPSR1CNR1EPHX2MAOB
SCHEMBL6962595 0.71 ALDH1A1 (0.52) SMN1; SMN2NPSR1ALDH1A1TDP1CNR1
SCHEMBL11527915 0.70 ALDH1A1 (0.62) SMN1; SMN2NPSR1ALDH1A1HPGDTDP1
SCHEMBL14049512 0.67 SMN1; SMN2 (0.70) SMN1; SMN2NPSR1CNR1EPHX2MAOB
SCHEMBL8350625 0.67 SMN1; SMN2 (0.70) SMN1; SMN2NPSR1CNR1EPHX2MAOB
SCHEMBL13923628 0.67 SMN1; SMN2 (0.70) SMN1; SMN2NPSR1CNR1EPHX2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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