SCHEMBL8774988

SCHEMBL8774988

CCCCC1CCC(c2cnc(F)c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPK1 P28482 4/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 2/20 0.32
POLB P06746 2/20 0.32
HTT P42858 1/20 0.32
RXRA P19793 3/20 0.31

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
SCHEMBL8774983 1.00 MEN1 (0.37) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774273 0.96 MEN1 (0.35) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774264 0.96 MEN1 (0.35) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774284 0.96 MEN1 (0.35) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774268 0.96 MEN1 (0.35) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774438 0.96 MAPT (0.39) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774448 0.96 MAPT (0.39) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774832 0.94 MAPT (0.41) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774845 0.94 MAPT (0.41) MEN1KMT2AMAPK1MAPTGAA
SCHEMBL8774471 0.92 MAPT (0.37) MEN1KMT2AMAPK1MAPTGAA

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-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed