SCHEMBL19360372

SCHEMBL19360372

CCc1ccccc1Cc1cc2cc(C(=O)OC)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.49
GPR84 Q9NQS5 1/20 0.47
KIF11 P52732 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDR P35968 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PARP1 P09874 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CREBBP Q92793 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
XDH P47989 1/20 0.41
GRM1 Q13255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL19360304 0.88 F2 (0.47) F2GPR84KIF11MEN1KMT2A
SCHEMBL5882117 0.85 MEN1 (0.49) KIF11MEN1KMT2AATML3MBTL1
SCHEMBL19360428 0.85 F2 (0.47) F2GPR84KIF11MEN1KMT2A
SCHEMBL978722 0.85 F2 (0.62) F2GPR84KIF11MEN1KMT2A
SCHEMBL19360362 0.83 IDH1 (0.46) F2GPR84KIF11MEN1KMT2A
SCHEMBL5882041 0.80 MEN1 (0.56) KIF11MEN1KMT2AKDRATM
SCHEMBL5794918 0.80 MEN1 (0.49) KIF11MEN1KMT2AKDRATM
SCHEMBL5881784 0.79 NPC1 (0.47) KIF11MEN1KMT2AKDRATM
SCHEMBL19360455 0.79 MET (0.48) F2MEN1KMT2AKDRATM
SCHEMBL7411185 0.78 L3MBTL1 (0.51) KIF11MEN1KMT2AKDRATM

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
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