SCHEMBL8840134

SCHEMBL8840134

COc1ccc(-c2nnc(C(=O)O)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
KDM4E B2RXH2 5/20 0.60
MAPT P10636 4/20 0.60
NPC1 O15118 4/20 0.60
KMT2A Q03164 2/20 0.60
CSNK2A2 P19784 1/20 0.59
CSNK2A1 P68400 1/20 0.59
ALDH1A1 P00352 3/20 0.57
TP53 P04637 2/20 0.57
HSD17B10 Q99714 2/20 0.57
DDX3X O00571 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL3900919 0.86 KDM4E (0.59) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL6539281 0.84 CSNK2A2 (0.75) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL30968063 0.82 MAPT (0.58) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL6663651 0.80 KDM4E (0.75) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL8840161 0.79 NPC1 (0.51) RAB9AKDM4ENPC1KMT2ACSNK2A2
SCHEMBL8840334 0.78 CSNK2A2 (0.56) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL8840178 0.78 KDM4E (0.53) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL8840150 0.77 NPC1 (0.58) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL6539013 0.76 CA1 (0.66) RAB9AKDM4EMAPTNPC1KMT2A
SCHEMBL11524897 0.76 RAB9A (0.58) RAB9AKDM4EMAPTNPC1KMT2A

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
US-5591695-A Herbicidal [1,3,4]oxadiazoles and thiadiazoles AMERICAN CYANAMID CO. (US) 1997-01-07 US disclosed
EP-0726263-A2 Herbicidal (1,3,4)oxadiazoles and thiadiazoles American Cyanamid Company (US) 1996-08-14 EP disclosed