SCHEMBL18477271

SCHEMBL18477271

IOc1ccccc1OI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK2 O60674 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 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
SCHEMBL23873086 0.85 CA1 (0.72) CA1CA2CA7CA9CA12
SCHEMBL18508315 0.81
SCHEMBL11481226 0.81
SCHEMBL27540594 0.79 ALDH1A1 (0.35) CA1CA2CA7CA9CA12
SCHEMBL14959852 0.78
SCHEMBL12446964 0.78
SCHEMBL19264993 0.78
SCHEMBL15336732 0.78
SCHEMBL17122770 0.78
SCHEMBL27531987 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663285-B1 FORMYLPYRIDINE DERIVATIVE HAVING FGFR4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2024-01-24 EP disclosed
EP-3663282-B1 PYRROLIDINONE HERBICIDES FMC CORP (US) 2022-05-18 EP disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
CN-112088151-A Process for producing fluoromethyl derivative 大金工业株式会社 2020-12-15 CN disclosed
CN-112004793-A Method for producing fluorinated organic compound 大金工业株式会社 2020-11-27 CN disclosed
EP-3663285-A1 FORMYLPYRIDINE DERIVATIVE HAVING FGFR4 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2020-06-10 EP disclosed
EP-2970266-B1 1-PHENOXY-3-(ALKYLAMINO)-PROPAN-2-OL DERIVATIVES AS CARM1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-01-31 EP disclosed
WO-2017049172-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
WO-2017049176-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
WO-2017023515-A1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-02-09 WO disclosed