SCHEMBL2372216

SCHEMBL2372216

O=S(=O)(NCOC(F)(F)F)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 2/20 0.50
KEAP1 Q14145 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.46
GBA1 P04062 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL574791 0.76 MAPK1 (0.64) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL19280574 0.76 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL3528919 0.76 CYP2C19 (0.57) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL2595618 0.74 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL3686095 0.73 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL2372214 0.73 CA1 (0.44) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL6008583 0.73 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL6008587 0.73 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL3651548 0.72 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2PKMKEAP1
SCHEMBL5518065 0.72 KEAP1 (0.65) ALDH1A1LMNASMN1; SMN2KEAP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO disclosed