SCHEMBL9179356

SCHEMBL9179356

O=C(COCc1ccccc1)Nc1ccc2c(c1)CCN2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
PTPN1 P18031 1/20 0.55
NAMPT P43490 1/20 0.54
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PARP1 P09874 1/20 0.51
NPC1 O15118 2/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
LTA4H P09960 1/20 0.44
MET P08581 1/20 0.42
CETP P11597 1/20 0.42
CSNK1D P48730 1/20 0.41
DHODH Q02127 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL30718462 0.84 NPC1 (0.64) NAMPTRAB9AALDH1A1NPC1
SCHEMBL27370339 0.84 NPC1 (0.64) NAMPTRAB9AALDH1A1NPC1
SCHEMBL2349758 0.78 NAMPT (0.70) PTPRCPTPN1NAMPTRAB9AALDH1A1
SCHEMBL6981447 0.77 NPC1 (0.68) RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL7903033 0.76 RAB9A (0.57) RAB9AALDH1A1SMN1; SMN2NPC1MET
SCHEMBL839348 0.75 NAMPT (0.66) PTPRCPTPN1NAMPTRAB9AALDH1A1
SCHEMBL30847429 0.75 RAB9A (0.61) PTPN1RAB9ASMN1; SMN2NPC1
SCHEMBL4716893 0.75 RAB9A (0.61) PTPN1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL14812627 0.74 MAOA (0.41) RAB9ANPC1MAOAMAOB
SCHEMBL6131245 0.74 MAOA (0.46) PTPN1ALDH1A1MAOAMAOB

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-0648119-A1 5'-INDOLINYL OXAZOLIDINONES USEFUL AGAINST $i(MYCOBACTERIUM TUBERCULOSIS) THE UPJOHN COMPANY (US) 1995-04-19 EP disclosed
WO-1994001110-A1 5'-INDOLINYL OXAZOLIDINONES USEFUL AGAINST $i(MYCOBACTERIUM TUBERCULOSIS) THE UPJOHN COMPANY (US) 1994-01-20 WO disclosed