SCHEMBL14799877

SCHEMBL14799877

c1ccc2cc3cc(-n4cccc4)ccc3cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
HSP90AA1 P07900 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HBB P68871 1/20 0.43
HIF1A Q16665 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR5A P47898 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 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
SCHEMBL30711585 0.93 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2HSP90AA1MAPT
SCHEMBL2242869 0.93 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2HSP90AA1MAPT
SCHEMBL26259748 0.91 MAPT (0.50) CYP19A1CYP11B1CYP11B2HSP90AA1MAPT
SCHEMBL26259867 0.88 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2HSP90AA1MAPT
SCHEMBL15022221 0.74 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL28871084 0.73 MAPT (0.43) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL12841357 0.71 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2HSP90AA1ALDH1A1
Benz(B)Anthracene SCHEMBL7947 0.71 ALDH1A1 (0.61) MAPTALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL25181 0.71 ALDH1A1 (0.61) MAPTALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL22634171 0.71 ALDH1A1 (0.61) MAPTALDH1A1HSD17B10CYP3A4ALOX15

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
US-9350012-B2 Rechargeable organosodium polymer battery EMPIRE TECHNOLOGY DEVELOPMENT, LLC (US) 2016-05-24 US disclosed
CN-103828103-A Rechargeable organosodium polymer battery EMPIRE TECHNOLOGY DEV LLC 2014-05-28 CN disclosed
US-20130078499-A1 RECHARGEABLE ORGANOSODIUM POLYMER BATTERY EMPIRE TECHNOLOGY DEVELOPMENT, LLC (US) 2013-03-28 US disclosed
WO-2013043186-A1 RECHARGEABLE ORGANOSODIUM POLYMER BATTERY EMPIRE TECHNOLOGY DEVELOPMENT, LLC (US) 2013-03-28 WO disclosed