SCHEMBL5083060

SCHEMBL5083060

Cc1ccccc1Nc1cccccc1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HPGD P15428 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
ALOX12 P18054 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
C1R P00736 1/20 0.46
EPHX1 P07099 1/20 0.46
SLC2A1 P11166 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
AKR1B10 O60218 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
SCHEMBL24158011 0.84 NPC1 (0.59) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL183017 0.83 HTT (0.59) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL5085672 0.83 RAB9A (0.56) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL29511793 0.83 HTT (0.59) NPC1RAB9AHPGDALDH1A1MAPT
Bicarbonate SCHEMBL31082205 0.82 RAB9A (0.61) NPC1RAB9AHPGDALDH1A1ALOX12
SCHEMBL1713041 0.81 HTT (0.56) NPC1RAB9AHPGDALDH1A1MAPT
Water SCHEMBL8601906 0.81 HTT (0.56) NPC1RAB9AHPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL3212348 0.81 HTT (0.56) NPC1RAB9AHPGDALDH1A1MAPT
Oxalic Acid SCHEMBL31082365 0.80 RAB9A (0.59) NPC1RAB9AHPGDALDH1A1ALOX12
SCHEMBL30671657 0.79 ALDH1A1 (0.50) NPC1RAB9AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375242-B2 Catalysts for olefin polymerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-20 US disclosed
US-20030027957-A1 Catalysts for olefin polymerization HICKS FREDERICK (US) 2003-02-06 US disclosed
US-6451940-B1 THE USE OF AMINOTROPONES AS LIGANDS FOR NICKEL CONTAINING OLEFIN POLYMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY 2002-09-17 US disclosed
EP-1237951-A1 CATALYSTS FOR OLEFIN POLYMERIZATIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-11 EP disclosed
WO-2001030865-A1 CATALYSTS FOR OLEFIN POLYMERIZATIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-05-03 WO disclosed