SCHEMBL5548146

SCHEMBL5548146

O=C(NC1=NCC2=CN(C(=O)c3ccco3)CCC2=N1)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL5546202 0.74 NOD2 (0.40) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL5548143 0.73 MAPT (0.43) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL5544949 0.70 ALDH1A1 (0.36) KMT2AALDH1A1MEN1GAARAB9A
SCHEMBL5545053 0.68 GRM5 (0.39) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL5540828 0.64 MAPT (0.44) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL3528118 0.64 MAPT (0.52) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL16713290 0.59 KMT2A (0.66) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL10504806 0.59 KMT2A (0.72) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL6633899 0.59 PTPN2 (0.75) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL18658113 0.57 PTPN1 (0.82) MAPTKMT2AALDH1A1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed