SCHEMBL19992016

SCHEMBL19992016

FC(F)(F)Sc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.52
LTA4H P09960 5/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPN1 P18031 2/20 0.47
NR1H2 P55055 1/20 0.45
BAX Q07812 1/20 0.45
MAOA P21397 1/20 0.45
CETP P11597 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KCNK2 O95069 1/20 0.41
KCNK10 P57789 1/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 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
SCHEMBL28783009 0.91 PTPRZ1 (0.59) PTPRZ1LMNAKDM4EALDH1A1TDP1
SCHEMBL8736949 0.82 PTPRZ1 (0.50) PTPRZ1LMNAKDM4EALDH1A1TDP1
SCHEMBL16705589 0.82 PTPRZ1 (0.50) PTPRZ1LTA4HLMNAKDM4EALDH1A1
SCHEMBL5919287 0.80 PTPRZ1 (0.49) PTPRZ1LMNAKDM4EALDH1A1TDP1
SCHEMBL777056 0.79 ALDH1A1 (0.56) PTPRZ1LMNATSHRKDM4EALDH1A1
SCHEMBL13945731 0.79 LTA4H (0.50) LTA4HLMNATSHRALDH1A1NR1H2
SCHEMBL28138985 0.78 LMNA (0.45) PTPRZ1LTA4HLMNAKDM4EALDH1A1
SCHEMBL24512641 0.77 PTPRZ1 (0.46) PTPRZ1LMNAKDM4EALDH1A1TDP1
SCHEMBL11574060 0.77 KCNK2 (0.53) LMNATSHRKDM4EALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL19436327 0.77 AR (0.49) PTPRZ1LMNATSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483347-B Process for preparing substituted trifluoromethylsulfanyl benzenes from substituted anilines 天津师范大学 2021-03-16 CN disclosed
CN-110483350-B Process for converting substituted phenyldiazonium salts into trifluoromethylsulfanylbenzenes 天津师范大学 2021-01-05 CN disclosed
EP-2871180-B1 2-AMINONICOTINIC ACID ESTER DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT AGRO KANESHO CO LTD (JP) 2018-03-21 EP disclosed