SCHEMBL7169031

SCHEMBL7169031

Cc1cc(C)c(N)c(Nc2ccc(CCCO)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AGPAT2 O15120 1/20 0.41
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 5/20 0.39
GAA P10253 2/20 0.39
STAT6 P42226 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
FCGR3B O75015 1/20 0.37
FCGR1A P12314 1/20 0.37
FCGR2A P12318 1/20 0.37

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
SCHEMBL1624629 0.92 MEN1 (0.51) MEN1KMT2AAGPAT2RAB9AMAPK1
SCHEMBL7017813 0.85 MEN1 (0.49) MEN1KMT2ARAB9AMAPK1KDM4E
SCHEMBL3950718 0.81 KMT2A (0.50) MEN1KMT2ARAB9AKDM4EHPGD
SCHEMBL1625442 0.80 MEN1 (0.50) MEN1KMT2ARAB9AMAPK1KDM4E
SCHEMBL1625505 0.79 MEN1 (0.49) MEN1KMT2ARAB9AKDM4EHPGD
SCHEMBL1626147 0.79 MEN1 (0.49) MEN1KMT2ARAB9AKDM4EHPGD
SCHEMBL1625684 0.79 AGPAT2 (0.42) MEN1KMT2AAGPAT2PDE4BKDM4E
SCHEMBL1624628 0.74 MEN1 (0.43) MEN1KMT2ARAB9AMAPK1KDM4E
SCHEMBL1623514 0.72 MEN1 (0.41) MEN1KMT2AAGPAT2RAB9APDE4B
SCHEMBL4561259 0.72 MEN1 (0.41) MEN1KMT2ARAB9AKDM4EHPGD

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-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed