SCHEMBL8107829

SCHEMBL8107829

CSc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.73
NPSR1 Q6W5P4 1/20 0.73
RAB9A P51151 11/20 0.71
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.55
APEX1 P27695 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 2/20 0.53
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL18074274 0.84 HPGD (1.00) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL31030951 0.83 HPGD (0.79) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL29237869 0.83 HPGD (0.79) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL1578469 0.82 RAB9A (0.83) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL9856411 0.81 HPGD (0.63) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL8346723 0.80 HPGD (0.74) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL9449362 0.80 HPGD (0.74) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL31000977 0.80 HPGD (0.74) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL1677061 0.80 RAB9A (1.00) HPGDNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL3591703 0.80 HPGD (0.74) HPGDNPSR1RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874805-B1 PHENYLACETAMIDE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-09-20 EP disclosed
US-5973201-A ANALGESICS; ANTIINFLAMMATORY AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-10-26 US disclosed
EP-0874805-A1 PHENYLACETAMIDE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 1998-11-04 EP disclosed
WO-1997021668-A1 PHENYLACETAMIDE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-06-19 WO disclosed