SCHEMBL7014361

SCHEMBL7014361

Cc1cc(C)c(N)c(Nc2cc[c]cc2Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.40
HPGD P15428 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.33
BLM P54132 1/20 0.33
PKM P14618 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL6017929 0.78 MAPT (0.43) HSD17B10KDM4ETSHRMAPTHPGD
SCHEMBL6386722 0.75 ALDH1A1 (0.46) HSD17B10KDM4ETSHRHPGDGAA
SCHEMBL1625620 0.73 KDM4E (0.41) HSD17B10KDM4ETSHRMAPTHPGD
SCHEMBL1625619 0.70 KDM4E (0.39) HSD17B10KDM4ETSHRMAPTHPGD
SCHEMBL6389218 0.68 ALDH1A1 (0.38) HSD17B10KDM4ETSHRMAPTHPGD
SCHEMBL7016784 0.68 ALDH1A1 (0.33) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL9388104 0.65 KDM4E (0.44) KDM4ETSHRMAPTHPGDGAA
SCHEMBL4561259 0.65 MEN1 (0.41) HSD17B10KDM4ETSHRMAPTHPGD
SCHEMBL6384420 0.64 TSHR (0.41) HSD17B10KDM4ETSHRMAPTHPGD
SCHEMBL7017813 0.64 MEN1 (0.49) HSD17B10KDM4ETSHRMAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
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
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed