SCHEMBL9688037

SCHEMBL9688037

COc1c(C(=O)NCc2nc3ccccc3[nH]2)[nH]c(=O)c(CC(C)C)[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MAPK10 P53779 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 3/20 0.45
RAB9A P51151 2/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.40
SLC40A1 Q9NP59 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
SCHEMBL9689043 0.80 HPGD (0.39) TSHRSMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL9687941 0.79 EZH2 (0.40) SMN1; SMN2KMT2AKDM4E
SCHEMBL9688033 0.78 HTT (0.49) TSHRSMN1; SMN2KMT2APOLBRAB9A
SCHEMBL9687454 0.75 MEN1 (0.39) KMT2AMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL9687392 0.75 CYP1A2 (0.46) TSHRSMN1; SMN2KMT2APOLBPTGS2
SCHEMBL9687391 0.72 HPGD (0.39) TSHRSMN1; SMN2KMT2APOLBMAPT
SCHEMBL9687431 0.71 MAPT (0.38) KMT2APOLBMAPTKDM4E
SCHEMBL9280239 0.71 RXFP1 (0.45) TSHRSMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL9027351 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KMT2APOLBRAB9AMAPT
SCHEMBL9278822 0.69 RAB9A (0.46) TSHRSMN1; SMN2KMT2APOLBRAB9A

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed