SCHEMBL7018959

SCHEMBL7018959

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3cc(Cl)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
GPR119 Q8TDV5 1/20 0.38
TBXA2R P21731 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL28008635 0.89 MEN1 (0.44) MEN1KMT2APOLBPABPC1PSEN1
SCHEMBL6386347 0.84 MEN1 (0.39) MEN1KMT2APOLBPABPC1PSEN1
SCHEMBL7015218 0.84 MEN1 (0.39) MEN1KMT2APOLBPABPC1PSEN1
SCHEMBL27600113 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7017481 0.82 KMT2A (0.40) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL6426223 0.81 PSEN1 (0.45) MEN1KMT2AALDH1A1PSEN1PSEN2
SCHEMBL7099008 0.80 SMN1; SMN2 (0.40) MEN1KMT2APOLBPABPC1PSEN1
SCHEMBL28008223 0.79 KMT2A (0.44) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL7098251 0.78 SMN1; SMN2 (0.39) MEN1KMT2APOLBPABPC1PSEN1
SCHEMBL1624764 0.78 MEN1 (0.44) MEN1KMT2APOLBPABPC1TBXA2R

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