SCHEMBL28906556

SCHEMBL28906556

CCc1cc(C(=O)OC)c(F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.42
PLA2G2A P14555 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
MAPT P10636 3/20 0.36
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
POLQ O75417 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
DHODH Q02127 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34

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
SCHEMBL30987616 0.86 JMJD6 (0.39) JMJD6PLA2G2AKDM4EASPHKDM8
SCHEMBL2022063 0.81 KDM4E (0.42) JMJD6KDM4EASPHKDM8MAPT
SCHEMBL22275181 0.81 KDM4E (0.49) KDM4EMAPTTSHRALDH1A1HPGD
SCHEMBL20855653 0.81 POLQ (0.45) PLA2G2AKDM4EMAPTTSHRALDH1A1
SCHEMBL24769678 0.81 ALDH1A1 (0.43) PLA2G2AKDM4EMAPTTSHRALDH1A1
SCHEMBL11414590 0.80 PARP1 (0.40) JMJD6KDM4EASPHKDM8
SCHEMBL9110478 0.77 KDM4E (0.46) KDM4EASPHKDM8MAPTTSHR
SCHEMBL2025343 0.77 SOS1 (0.40) JMJD6KDM4EASPHKDM8MAPT
SCHEMBL1330158 0.77 KDM4E (0.45) JMJD6KDM4EASPHKDM8MAPT
SCHEMBL12192175 0.77 NNMT (0.46) JMJD6KDM4EASPHKDM8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304623-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-11-08 CN disclosed