SCHEMBL22273618

SCHEMBL22273618

N#Cc1cc(NCc2ccccc2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 4/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FFAR1 O14842 1/20 0.47
GRM4 Q14833 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
HTT P42858 2/20 0.45
PTPN1 P18031 2/20 0.44
PTPN11 Q06124 1/20 0.44
PRKACA P17612 1/20 0.44
CDK8 P49336 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL22273577 0.88 PPARA (0.45) MAP3K8GRM4MEN1MAPTPABPC1
SCHEMBL22273578 0.81 KDM4E (0.53) MAP3K8KDM4EHPGDTSHRHSD17B10
SCHEMBL11513455 0.80 MEN1 (0.66) FFAR1MEN1MAPTPABPC1KMT2A
SCHEMBL24127052 0.77 ABCG2 (0.56) KDM4EHPGDTSHRHSD17B10GRM4
SCHEMBL19190910 0.77 GRM4 (0.47) MAP3K8FFAR1GRM4ABCG2
SCHEMBL24126805 0.76 GRM4 (0.50) MAP3K8GRM4MEN1KMT2AABCG2
SCHEMBL20714748 0.76 GRM4 (0.43) MAP3K8GRM4ABCG2HTT
SCHEMBL4270413 0.76 CYP3A4 (0.69) MAP3K8KDM4ETSHRMEN1MAPT
SCHEMBL16040754 0.76 MEN1 (0.49) MEN1MAPTPABPC1KMT2AHTT
SCHEMBL12907086 0.74 MAPT (0.52) KDM4EHPGDMEN1MAPTKMT2A

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
EP-3915978-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF Hangzhou Yirui Pharmaceutical Technology Co., Ltd (CN) 2021-12-01 EP disclosed
WO-2020151687-A1 N-BENZYL-N-ARYLSULFONAMIDE DERIVATIVE AND PREPARATION AND USE THEREOF 杭州壹瑞医药科技有限公司 2020-07-30 WO disclosed
CN-109651297-A A kind of N- benzyl-N- aryl sulfonic acid amides analog derivative and preparation and application 杭州壹瑞医药科技有限公司 2019-04-19 CN disclosed