SCHEMBL28340449

SCHEMBL28340449

COCOc1cccc(C(F)(F)F)c1Sc1c(OCOC)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
PTPN1 P18031 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
AR P10275 4/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
ATM Q13315 1/20 0.32
IDO1 P14902 1/20 0.32
CYP2D6 P10635 3/20 0.32
TSHR P16473 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 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
SCHEMBL6676898 0.83 PIM1 (0.36) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL2317520 0.82 RXRA (0.46) PIM1PIM2MRGPRX4ARRXRA
SCHEMBL2321554 0.81 PIM1 (0.40) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL17201326 0.80 MRGPRX4 (0.49) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL20830508 0.80 PIM1 (0.40) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL28340452 0.80 PIM1 (0.40) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL17041036 0.80 PIM1 (0.40) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL1043542 0.76 PTPN1 (0.38) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL27833695 0.75 PIM1 (0.37) PIM1PIM2PTPN1MRGPRX4AR
SCHEMBL6676444 0.74 PIM1 (0.39) PIM1PIM2PTPN1MRGPRX4RXRA

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
CN-110590623-B Method for preparing 6-substituted-2-trifluoromethyl phenyl sulfide in continuous flow microchannel reactor 江苏好收成韦恩农化股份有限公司 2022-04-19 CN disclosed
CN-110590623-A Method for preparing 6-substituted-2-trifluoromethyl phenyl sulfide in continuous flow microchannel reactor 江苏好收成韦恩农化股份有限公司 2019-12-20 CN disclosed