SCHEMBL10397157

SCHEMBL10397157

O=S(=O)(Nc1c(F)cccc1Cl)c1nc2nc(CF)ccn2n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GAA P10253 1/20 0.30
CXCR2 P25025 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL9376842 0.93 GAA (0.32) ALDH1A1GAA
SCHEMBL9375954 0.92 GAA (0.33) ALDH1A1KMT2AGAACXCR2
SCHEMBL9832548 0.86 HTR6 (0.39) ACLYKDM4E
SCHEMBL10666414 0.81 ACLY (0.39) ACLYMEN1KMT2AHPGD
SCHEMBL10666553 0.78 TSHR (0.34)
SCHEMBL10562478 0.77 TSHR (0.34) KMT2A
SCHEMBL8358915 0.77 HSD11B1 (0.40) ALDH1A1
Flumetsulam SCHEMBL54906 0.77 TSHR (0.40) ALDH1A1KMT2AGAA
Flumetsulam SCHEMBL20723426 0.76 TSHR (0.39) ALDH1A1KMT2AGAA
Flumetsulam SCHEMBL20723449 0.76 TSHR (0.39) ALDH1A1KMT2AGAA

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
US-4979981-A BIODEGRADABLE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed