SCHEMBL9831489

SCHEMBL9831489

CCOC(=O)c1cnc2nc(SCc3ccccc3)nn2c1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.77
RAB9A P51151 8/20 0.77
SMN1; SMN2 Q16637 7/20 0.62
ALDH1A1 P00352 6/20 0.62
TSHR P16473 2/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
PKM P14618 1/20 0.59
DCTPP1 Q9H773 1/20 0.59
MAPT P10636 6/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RECQL P46063 1/20 0.51
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL10016342 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1991539 0.77 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL10373441 0.72 PKM (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9831745 0.71 ALDH1A1 (0.63) NPC1RAB9AALDH1A1LMNA
SCHEMBL9831920 0.71 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL9831621 0.70 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL10719117 0.69 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL13242893 0.69 L3MBTL1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL9833094 0.69 ALDH1A1 (0.62) NPC1RAB9AALDH1A1PKMDCTPP1
SCHEMBL9832945 0.68 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP disclosed
US-4954163-A PRE-AND POSTEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-09-04 US disclosed
US-4886883-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-12 US disclosed
EP-0330137-A1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DowElanco (US) 1989-08-30 EP disclosed
US-4818273-A Substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides, compositions containing them, and their utility as herbicides THE DOW CHEMICAL COMPANY (US) 1989-04-04 US disclosed
US-4755212-A Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and compositions and method for inhibiting pollen formation in corn THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 US disclosed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed
EP-0142152-A2 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1985-05-22 EP disclosed