SCHEMBL9832072

SCHEMBL9832072

Cc1cnc2nc(S(=O)(=O)Nc3c(F)cccc3C(=O)O)nn2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHODH Q02127 2/20 0.33
KAT6A Q92794 1/20 0.32
METAP2 P50579 1/20 0.32
POLB P06746 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL9830333 0.90 KMT2A (0.37) ALDH1A1HSD17B10KDM4EPOLB
SCHEMBL9833863 0.90 ACLY (0.46) ACLYALDH1A1HSD17B10KDM4EGAA
SCHEMBL9833369 0.89 SLC40A1 (0.36) GAASMN1; SMN2GRM5
SCHEMBL9834094 0.89 ACLY (0.39) ACLYALDH1A1HSD17B10DHODH
SCHEMBL9832083 0.88 ACLY (0.39) ACLYDHODHMETAP2
SCHEMBL9831623 0.88 TSHR (0.43) ALDH1A1KDM4ENPC1TP53GAA
SCHEMBL9833225 0.87 MEN1 (0.38) ACLYALDH1A1GAADHODHKAT6A
SCHEMBL9833287 0.87 LMNA (0.32) NPC1
SCHEMBL9831402 0.86 TSHR (0.36) GRM5
SCHEMBL8356736 0.84 SLC40A1 (0.36) ALDH1A1

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 1 patent. 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 claimed