SCHEMBL8554132

SCHEMBL8554132

CNc1c(C#N)c(C)nn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 6/20 0.45
USP7 Q93009 1/20 0.43
NTRK1 P04629 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
USP2 O75604 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
SCHEMBL8553162 0.84 GAA (0.45) GAAMEN1KMT2AKDM4EUSP7
SCHEMBL8559433 0.81 LRRK2 (0.46) GAAMEN1KMT2AKDM4ENTRK1
SCHEMBL8553146 0.79 NTRK1 (0.54) KDM4ENTRK1SMN1; SMN2NPC1RAB9A
SCHEMBL2546236 0.79 GAA (0.68) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8554342 0.78 NTRK1 (0.51) GAAMEN1KMT2AKDM4ENTRK1
SCHEMBL8555685 0.78 KDM4E (0.46) GAAMEN1KMT2AKDM4ENTRK1
SCHEMBL27830393 0.78 GAA (0.50) GAAMEN1KMT2AKDM4EUSP7
SCHEMBL14369639 0.76 CA1 (0.57) GAAMEN1KMT2AKDM4EUSP7
SCHEMBL1800187 0.76 SMN1; SMN2 (0.64) GAAMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8551653 0.76 NTRK1 (0.53) KDM4ENTRK1SMN1; SMN2MAPTALDH1A1

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
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed