SCHEMBL9823324

SCHEMBL9823324

Cc1ccc(-c2nc(C(=O)Nc3nnn[nH]3)c(C(C)C)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.45
IKBKE Q14164 7/20 0.45
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35
COMT P21964 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 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
SCHEMBL9823368 0.87 IKBKE (0.45) TBK1IKBKERAB9AKDM4EGAA
SCHEMBL9830987 0.81 GAA (0.54) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL9831169 0.79 RAB9A (0.36) TBK1IKBKERAB9AKDM4EGAA
SCHEMBL9823493 0.77 KDM4E (0.46) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL9823799 0.76 RAB9A (0.61) RAB9AGAANPC1ALDH1A1HPGD
SCHEMBL9823522 0.75 RAB9A (0.55) TBK1IKBKERAB9AKDM4EGAA
SCHEMBL9830916 0.74 RAB9A (0.45) TBK1IKBKERAB9AKDM4EGAA
SCHEMBL9832642 0.72 SMN1; SMN2 (0.64) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL9831821 0.71 MAPT (0.46) RAB9AKDM4EGAANPC1ALDH1A1
SCHEMBL9830803 0.71 ALDH1A1 (0.62) RAB9AGAANPC1ALDH1A1HPGD

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
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed