SCHEMBL19360520

SCHEMBL19360520

CCn1c(Cc2ccccc2C(F)(F)F)cc2cc(C(=O)OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.51
RORC P51449 4/20 0.48
KDM4E B2RXH2 1/20 0.46
ACSS2 Q9NR19 1/20 0.44
NOTUM Q6P988 1/20 0.43
CYP2C9 P11712 1/20 0.42
PTGER4 P35408 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
RBP4 P02753 1/20 0.41
EPHX2 P34913 1/20 0.41
ECE1 P42892 1/20 0.40

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
SCHEMBL19360521 0.88 RORC (0.48) KIF11RORCACSS2EPHX2ECE1
SCHEMBL19360580 0.84 RORC (0.63) KIF11RORCNOTUMCYP2C9
SCHEMBL30076050 0.82 RORC (0.52) KIF11RORCNOTUMCYP2C9TAOK1
SCHEMBL19360425 0.82 RORC (0.52) KIF11RORCNOTUMCYP2C9TAOK1
SCHEMBL19360593 0.82 KDM4E (0.43) KIF11RORCKDM4EACSS2NOTUM
SCHEMBL19360388 0.82 RORC (0.55) RORCKDM4EACSS2APOBEC3AAPOBEC3G
SCHEMBL30076091 0.79 RORC (0.53) KIF11RORCNOTUMEPHX2
SCHEMBL20635386 0.79 RORC (0.53) KIF11RORCNOTUMEPHX2
SCHEMBL19360605 0.79 IDH1 (0.47) RORCKDM4EACSS2APOBEC3AAPOBEC3G
SCHEMBL20822497 0.78 RORC (0.53) KIF11RORCNOTUM

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
CN-107531679-B Aromatic amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
CN-107531679-A Aromatic amides analog derivative, its preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-01-02 CN disclosed
WO-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 WO disclosed