SCHEMBL7301119

SCHEMBL7301119

O=C(OCc1ccccn1)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 1/20 0.57
PARP10 Q53GL7 1/20 0.50
MAPT P10636 3/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
PTPRA P18433 1/20 0.45
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL20509994 0.86 SMN1; SMN2 (0.63) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL7337933 0.83 TSHR (0.50) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL11377704 0.81 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL7442406 0.80 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL6562475 0.78 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL27513117 0.77 CYP19A1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL30620627 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL27817990 0.77 NPC1 (0.60) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL6223872 0.76 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAPARP10
SCHEMBL17424653 0.76 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2LMNAPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0488301-A1 New benzopyran compounds with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-03 EP disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed