SCHEMBL4820143

SCHEMBL4820143

COc1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
HPGD P15428 5/20 0.66
HSD17B10 Q99714 4/20 0.66
TSHR P16473 3/20 0.66
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 6/20 0.65
TP53 P04637 2/20 0.65
NFKB1 P19838 1/20 0.65
CASP3 P42574 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
GUSB P08236 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 2/20 0.62
NPSR1 Q6W5P4 2/20 0.61

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
SCHEMBL6450847 0.87 RAB9A (0.64) RAB9ANPC1HPGDHSD17B10TSHR
SCHEMBL12171732 0.80 NPC1 (0.66) RAB9ANPC1HPGDKDM4EALDH1A1
SCHEMBL12692353 0.79 RAB9A (1.00) RAB9ANPC1HPGDHSD17B10TSHR
SCHEMBL6451219 0.79 HPGD (0.54) RAB9ANPC1HPGDHSD17B10TSHR
SCHEMBL31490154 0.78 SLC6A4 (0.51) ALDH1A1KMT2A
SCHEMBL5288600 0.78 SLC6A4 (0.51) ALDH1A1KMT2A
SCHEMBL28800094 0.78 ALDH1A1 (0.54) RAB9ANPC1HPGDHSD17B10KDM4E
SCHEMBL11816106 0.78 RAB9A (0.72) RAB9ANPC1HPGDHSD17B10TSHR
SCHEMBL12386749 0.77 ALDH1A1 (1.00) RAB9ANPC1HPGDHSD17B10TSHR
SCHEMBL5121697 0.77 RAB9A (0.53) RAB9ANPC1HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-7442760-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-7094902-B2 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-22 US disclosed
US-20060155106-A1 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2006-07-13 US disclosed
EP-1573789-A2 ELECTROACTIVE POLYMERS 3M Innovative Properties Company (US) 2005-09-14 EP disclosed
WO-2004102615-A2 ELECTROACTIVE POLYMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-25 WO disclosed
US-20040062930-A1 Electroactive polymers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-01 US disclosed