SCHEMBL6991589

SCHEMBL6991589

Cc1cc(N2CCc3ccccc3C2C)nc(Nc2ccc(F)cc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 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
Hydrochloric Acid SCHEMBL6994764 0.99 GALR2 (0.37) GALR2HTTMEN1ALDH1A1LMNA
SCHEMBL6995386 0.89 GALR2 (0.36) GALR2
Hydrochloric Acid SCHEMBL6993026 0.88 GALR2 (0.35) GALR2
Hydrochloric Acid SCHEMBL6997300 0.88 KMT2A (0.40) HTTMEN1ALDH1A1LMNAKMT2A
SCHEMBL6993893 0.87 EGFR (0.39) GALR2
SCHEMBL7000418 0.87 GALR2 (0.35) GALR2MEN1ALDH1A1KMT2A
SCHEMBL6963727 0.87 MAPT (0.40) MEN1ALDH1A1LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6991973 0.87 EGFR (0.38) GALR2
Hydrochloric Acid SCHEMBL6993369 0.86 GALR2 (0.35) GALR2MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6992610 0.86 MAPT (0.39) MEN1ALDH1A1LMNAKMT2A

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-0775120-B1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2003-06-04 EP claimed