SCHEMBL29460352

SCHEMBL29460352

O=C(CO)Nc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
DHODH Q02127 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABL1 P00519 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
FLT1 P17948 2/20 0.40
NAMPT P43490 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LCLAT1 Q6UWP7 1/20 0.39

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
SCHEMBL29460351 1.00 KDR (0.51) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1073668 1.00 KDR (0.51) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1234570 0.92 MAPT (0.45) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3926500 0.92 KDR (0.52) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1942111 0.92 KDR (0.51) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1941240 0.92 KDR (0.51) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3923961 0.91 KDR (0.51) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL3924126 0.91 KMT2A (0.51) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1941085 0.90 MAPT (0.63) KDRMAPTKMT2ACRHBPCRHR2
SCHEMBL1940768 0.90 MAPT (0.47) KDRMAPTKMT2ACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107708738-B Depot formulations containing citrate esters 参天制药株式会社 2022-03-25 CN claimed
CN-107708738-B Depot formulations containing citrate esters 参天制药株式会社 2022-03-25 CN disclosed