SCHEMBL5545012

SCHEMBL5545012

COc1ccccc1C(=O)NC1N=CC2=CN(S(=O)(=O)c3ccc(F)cc3F)CCC2=N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.41
KMT2A Q03164 5/20 0.38
GPR6 P46095 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5545015 0.76 GPR6 (0.40) KMT2AGPR6LMNANPC1SMN1; SMN2
SCHEMBL1516305 0.66 HTT (0.60) KMT2ALMNASMN1; SMN2PKMGAA
SCHEMBL3533068 0.66 MAPT (0.45) KMT2AGPR6MKNK1LMNASMN1; SMN2
SCHEMBL15333128 0.62 CYP1A2 (0.65) KMT2ALMNANPC1SMN1; SMN2RAB9A
SCHEMBL30739855 0.62 CYP1A2 (0.65) KMT2ALMNANPC1SMN1; SMN2RAB9A
SCHEMBL30855447 0.58 KMT2A (0.54) KMT2ANPC1SMN1; SMN2RAB9AGAA
SCHEMBL30848554 0.58 KMT2A (0.54) KMT2ANPC1SMN1; SMN2RAB9AGAA
SCHEMBL1516316 0.58 TSHR (0.54) KMT2ALMNASMN1; SMN2MAPTPKM
SCHEMBL2542357 0.57 TAS1R3 (0.68) CCR3KMT2ANPC1RAB9AATM
SCHEMBL11236668 0.57 RAB9A (0.71) KMT2ALMNANPC1RAB9AMAPT

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