SCHEMBL6962440

SCHEMBL6962440

O=C(NSc1nc2ccccc2s1)NC1CC1c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
HPGD P15428 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 4/20 0.43
MAOB P27338 1/20 0.41
POLB P06746 2/20 0.40
ALOX5 P09917 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
ITK Q08881 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 3/20 0.39
CCR1 P32246 2/20 0.39
CCR3 P51677 2/20 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
SCHEMBL6962592 0.86 SMN1; SMN2 (0.45) ALDH1A1HPGDTDP1HSD17B10MAOB
SCHEMBL6959936 0.78 POLB (0.46) ALDH1A1HPGDTDP1POLBAPEX1
SCHEMBL6962449 0.73 NPC1 (0.49) ALDH1A1TDP1POLBITKKMT2A
SCHEMBL6962444 0.73 NPC1 (0.49) ALDH1A1TDP1POLBITKKMT2A
SCHEMBL6955337 0.72 ALOX5 (0.52) ALDH1A1HPGDHSD17B10POLBALOX5
SCHEMBL10640646 0.70 MAPT (0.60) ALDH1A1HPGDTDP1HSD17B10POLB
SCHEMBL9749994 0.70 POLB (0.55) ALDH1A1HPGDTDP1HSD17B10POLB
SCHEMBL11527915 0.68 ALDH1A1 (0.62) ALDH1A1HPGDTDP1HSD17B10MAOB
SCHEMBL1395886 0.68 EPHX2 (0.49) ALDH1A1HPGDTDP1KMT2ARAB9A
SCHEMBL6959251 0.65 ALOX5 (0.49) ALDH1A1HPGDHSD17B10POLBALOX5

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 5 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-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