SCHEMBL9215754

SCHEMBL9215754

CCOC(=O)C1=Nc2cc3c(c(C)c2=C1C)N=c1ccc(F)cc1=3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
MAPT P10636 7/20 0.34
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
FGB P02675 1/20 0.33
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
CASP3 P42574 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL9434368 0.87 SMN1; SMN2 (0.36) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL9434910 0.86 HRH3 (0.37) TSHRMAPTLMNASMN1; SMN2HSP90AA1
SCHEMBL8150303 0.85 MAPT (0.41) TSHRMAPTLMNASMN1; SMN2HSP90AA1
SCHEMBL8365328 0.85 DHODH (0.30)
SCHEMBL9434110 0.84 SMN1; SMN2 (0.36) TSHRMAPTLMNASMN1; SMN2HSP90AA1
SCHEMBL9434365 0.78 FGB (0.42) TSHRMAPTLMNASMN1; SMN2HSP90AA1
SCHEMBL1388444 0.77 FGB (0.38) TSHRMAPTLMNASMN1; SMN2HSP90AA1
SCHEMBL9435000 0.74 MAPT (0.32) TSHRMAPTMEN1KMT2AKDM4E
SCHEMBL8150574 0.73 LMNA (0.30) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL8910413 0.72 FGB (0.41) TSHRMAPTLMNASMN1; SMN2HSP90AA1

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-0651750-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-10 EP disclosed
WO-1994002483-A1 TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO disclosed