SCHEMBL8243196

SCHEMBL8243196

O=NC(C(=O)Nc1ccc(-c2ccccc2)cc1)C(O)C(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
FPR2 P25090 3/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
NR4A1 P22736 1/20 0.41
PTK2B Q14289 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTR3A P46098 1/20 0.40
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8212418 0.86 TAAR1 (0.49) TAAR1HPGDMAPK1FPR2EPHX2
SCHEMBL16357069 0.78 NPC1 (0.55) MAPTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL8215633 0.72 KIF11 (0.50) HPGDFPR2EPHX2MAPTKMT2A
SCHEMBL8208836 0.72 MEN1 (0.52) HPGDMAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8212593 0.72 SMN1; SMN2 (0.47) FPR2MAPTKMT2ANPSR1USP2
SCHEMBL12156920 0.72 MAPT (0.49) HPGDEPHX2MAPTKMT2ASMN1; SMN2
SCHEMBL8243200 0.71 MAPT (0.41) FPR2EPHX2MAPTKMT2ANPSR1
SCHEMBL14494432 0.71 MAPT (0.41) FPR2EPHX2MAPTKMT2ANPSR1
SCHEMBL12259230 0.69 HPGD (0.74) HPGDMAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL8215800 0.67 TAAR1 (0.63) TAAR1HPGDMAPTKMT2ANPSR1

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-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed