SCHEMBL5254243

SCHEMBL5254243

NC(=O)C1=CC=CN(Nc2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
CDK9 P50750 1/20 0.32

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
SCHEMBL9495344 0.88 TP53 (0.33) MAPTGAAKDM4ETSHRHSD17B10
SCHEMBL9499230 0.84 TSHR (0.39) MAPTGAATSHRPARP1SMN1; SMN2
SCHEMBL9496918 0.82 KMT2A (0.42) TDP1POLBL3MBTL1TP53SMN1; SMN2
SCHEMBL5253142 0.81 MEN1 (0.43) MAPTKDM4ETSHRHSD17B10POLB
SCHEMBL9498421 0.79
SCHEMBL9494438 0.79 EPHX1 (0.40) MAPTGAAKDM4EHSD17B10CYP3A4
SCHEMBL9494535 0.76 KDM4E (0.31) KDM4E
SCHEMBL5252939 0.73 RAB9A (0.45) MAPTTSHRTDP1SMN1; SMN2NPC1
SCHEMBL9495288 0.73 NPC1 (0.40) GFERTSHRTDP1POLBSMN1; SMN2
SCHEMBL9494589 0.73 NPC1 (0.45) MAPTGAAKDM4ECYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed