SCHEMBL9844844

SCHEMBL9844844

Fc1ccc(NCl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.45
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SOS1 Q07889 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TRPA1 O75762 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
PABPC1 P11940 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHFR P00374 1/20 0.38
POLB P06746 1/20 0.37
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL28658021 0.80 RAPGEF4 (0.42) RAPGEF4RAB9ANPC1SOS1SMN1; SMN2
SCHEMBL19294196 0.78 RAPGEF4 (0.42) RAPGEF4RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12252046 0.78 TNIK (0.41) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2119807 0.78 SOS1 (0.61) RAPGEF4RAB9ANPC1SOS1TRPA1
SCHEMBL1777858 0.74 RAPGEF4 (0.45) RAPGEF4RAB9ANPC1SOS1SMN1; SMN2
SCHEMBL31099069 0.74 RAPGEF4 (0.50) RAPGEF4RAB9ANPC1SOS1SMN1; SMN2
SCHEMBL1143594 0.74 SOS1 (0.47) RAPGEF4RAB9ANPC1SOS1SMN1; SMN2
SCHEMBL12981083 0.74 RAB9A (0.47) RAPGEF4RAB9ANPC1SOS1SMN1; SMN2
SCHEMBL19334300 0.74 RAPGEF4 (0.45) RAPGEF4RAB9ANPC1SOS1SMN1; SMN2
SCHEMBL28120099 0.74 RAPGEF4 (0.45) RAPGEF4RAB9ANPC1SOS1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003076-A Sulfamoyl pyrrole amides derivative and its purposes for being used to treat hepatitis B as drug 爱尔兰詹森科学公司 2019-07-12 CN disclosed
CN-105452220-B Sulfamoyl pyrrole amide derivative and application thereof as medicine for treating hepatitis B 爱尔兰詹森科学公司 2019-01-25 CN disclosed
CN-105658624-B Carboxamides derivatives and its purposes for being used to treat hepatitis B as drug 爱尔兰詹森科学公司 2019-01-04 CN disclosed
CN-109153651-A amido-substituted cyclohexane derivatives 拜耳制药股份公司 2019-01-04 CN disclosed
CN-106132962-B Macrocyclic compounds having an aromatic P2' group as factor XIA inhibitors 百时美施贵宝公司 2018-09-07 CN disclosed
WO-1991013847-A1 PROCESS FOR PREPARING CHLORO-DIFLUOROBENZENE ISC CHEMICALS LIMITED (GB) 1991-09-19 WO disclosed
EP-0447259-A1 Process for preparing chloro-difluorobenzene ISC CHEMICALS LIMITED (GB) 1991-09-18 EP disclosed
CN-1009920-B Halogenated benzoic acid derivatives and their preparation KYORIN SEIYAKU KK (JP) 1990-10-10 CN disclosed
CN-1008732-B Benzoyl acetate derivative and preparation method thereof KYORIN SEIYAKU KK (JP) 1990-07-11 CN disclosed
CN-87100382-A Benzoylacetic acid ester derivatives and preparation method thereof 1987-09-02 CN disclosed
CN-87100387-A Process for preparing quinolone carboxylic acid derivatives 1987-08-19 CN disclosed
CN-87100373-A Halogenated benzoic acid derivative and preparation thereof 1987-08-19 CN disclosed