SCHEMBL14530221

SCHEMBL14530221

CCCN(CCC)c1nc(OCCN2CCCCC2)cc(C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ TERT O14746 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PIR O00625 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ HSF1 Q00613 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KDR P35968 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CRHR1 P34998 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
SCHEMBL13758995 0.86 KMT2A (0.47) KMT2ATERTMAPTTP53PIR
SCHEMBL428830 0.82 KMT2A (0.44) KMT2ATERTPIRBRAFGSK3B
SCHEMBL13759336 0.79 MAPT (0.42) KMT2AMAPTTP53PIRBRAF
SCHEMBL431018 0.78 GRM4 (0.46) KMT2ATERTMAPTTP53MEN1
SCHEMBL426551 0.78 GRM4 (0.46) KMT2ATERTMAPTTP53BRAF
SCHEMBL13758989 0.76 HTT (0.52) MAPTTP53S1PR1LMNAKDR
SCHEMBL3121188 0.76 P2RY12 (0.42) KMT2AMAPTTP53BRAFMEN1
SCHEMBL13759190 0.75 GRM4 (0.43) TERTMAPTTP53
SCHEMBL425931 0.75 GRM4 (0.44) KMT2AMEN1
SCHEMBL430538 0.74 GRM4 (0.43) KMT2ATERTMAPTTP53MEN1

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
WO-2007050980-A2 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-03 — — WO disclosed
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