SCHEMBL7055593

SCHEMBL7055593

CNC(=O)c1sc(-c2ccc([N+](=O)[O-])cc2)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47

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
SCHEMBL6229303 0.84 MAPT (0.67) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL875026 0.83 MAPT (0.53) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL6610018 0.83 IKBKB (0.64) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL7052069 0.81 IKBKB (0.55) RAB9AMEN1KMT2AALDH1A1IKBKB
SCHEMBL874783 0.80 IKBKB (0.48) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL7055446 0.80 IKBKB (0.72) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL877661 0.79 MAPT (0.58) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL7052936 0.74 IKBKB (0.69) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL7057778 0.74 TUBB4A (0.65) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL18837900 0.74 MAPT (0.58) MAPTMEN1KMT2AKDM4EALDH1A1

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-2003028731-A1 CHK1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-10 WO disclosed