SCHEMBL5548741

SCHEMBL5548741

CCOc1ccccc1C(=O)N1C=C2CN=C(NC(=O)c3cccc(F)c3)N=C2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL5546600 0.84 KMT2A (0.40) SMN1; SMN2KCNK3HTTMAPTALDH1A1
SCHEMBL5545010 0.78 MAPT (0.44) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL5545053 0.77 GRM5 (0.39) KCNK3KCNK9MAPTALDH1A1MEN1
SCHEMBL5538119 0.77 RAB9A (0.46) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL5548738 0.76 HTR7 (0.42) SMN1; SMN2TDP1POLBKCNK3KCNK9
SCHEMBL5546854 0.74 CYP2C19 (0.40) SMN1; SMN2KCNK3KCNK9HTTMAPT
SCHEMBL5546603 0.74 HPGDS (0.39) SMN1; SMN2KCNK3MAPTALDH1A1MEN1
SCHEMBL5544949 0.73 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL5548146 0.73 MAPT (0.48) SMN1; SMN2POLBHTTMAPTALDH1A1
SCHEMBL5540828 0.72 MAPT (0.44) KCNK3KCNK9MAPTALDH1A1MEN1

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