SCHEMBL9526608

SCHEMBL9526608

O=C(F)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
KMO O15229 2/20 0.43
KDR P35968 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
KIF11 P52732 1/20 0.40
RAPGEF3 O95398 2/20 0.40
TSHR P16473 1/20 0.39
CES2 O00748 1/20 0.39
FOXO1 Q12778 1/20 0.39
PDK1 Q15118 1/20 0.38
SCN9A Q15858 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38

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
SCHEMBL30255650 1.00 NOTUM (0.46) NOTUMKMOKDRMRGPRX4CYP1A2
SCHEMBL10532934 0.85 KMO (0.43) NOTUMKMOKDRMRGPRX4CYP1A2
SCHEMBL29624981 0.85 TSHR (0.59) NOTUMKMOKDRMRGPRX4TSHR
SCHEMBL24400223 0.85 KMO (0.43) NOTUMKMOKDRMRGPRX4CYP1A2
SCHEMBL1920001 0.85 TSHR (0.59) NOTUMKMOKDRMRGPRX4TSHR
SCHEMBL313146 0.83 KIF11 (0.54) NOTUMKMOKDRMRGPRX4CYP1A2
SCHEMBL4294249 0.83 HSD11B1 (0.45) NOTUMKMOKDRMRGPRX4RAB9A
Hydrochloric Acid SCHEMBL30536936 0.81 HSD11B1 (0.44) NOTUMKMOKDRMRGPRX4RAB9A
SCHEMBL25139474 0.79 KDM4E (0.47) NOTUMKMOKDRMRGPRX4GPBAR1
SCHEMBL24959794 0.79 NOTUM (0.42) NOTUMKMOKDRMRGPRX4GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115717009-B Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-11-14 CN claimed
CN-115717009-A Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-02-28 CN claimed
CN-115717009-B Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-11-14 CN disclosed
CN-115717009-A Perovskite ink and preparation method and application thereof 江苏集萃有机光电技术研究所有限公司 2023-02-28 CN disclosed
EP-0365913-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1993-11-18 EP disclosed
US-5142092-A Chemical intermediate for making fungicides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0365914-B1 FLUORINE-CONTAINING ACETOPHENONES OPTIONALLY HALOGENATED IN THE CH3-GROUP, AND THEIR PREPARATION FROM FLUORINATED BENZONITRILES BAYER AG (DE) 1992-07-22 EP disclosed
US-5104879-A ANTIMYCOTICALLY ACTIVE SUBSTITUTED 2-AMINOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0365914-A2 Fluorine-containing acetophenones optionally halogenated in the CH3-group, and their preparation from fluorinated benzonitriles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365913-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed
EP-0293747-A2 Process for the preparation of fluoride-substituted carboxylic-acid chlorides BASF Aktiengesellschaft (DE) 1988-12-07 EP disclosed