SCHEMBL170182

SCHEMBL170182

Bn1c(-c2nc3ccccc3n2B)nc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ KDM4E B2RXH2 9/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ PKM P14618 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ NOS2 P35228 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL21560939 0.87 KDM4E (0.54) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10005378 0.86 RAB9A (0.40) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL18347137 0.82 HTT (0.55) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL171844 0.81 CTSD (0.52) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL1171430 0.71 MEN1 (0.69) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL18714069 0.70 KDM4E (0.40) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL15958057 0.70 RAB9A (0.44) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL230641 0.67 ALDH1A1 (0.70) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL20982597 0.67 ALDH1A1 (0.83) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL2461861 0.66 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084774-B1 NANOTUBE WIRING DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-07 — — EP disclosed
US-8097361-B2 Nanotube wiring DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-17 — — US disclosed
US-8097361-B2 Nanotube wiring DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-17 — — US disclosed
US-20100068621-A1 NANOTUBE WIRING DOW GLOBAL TECHNOLOGIES LLC 2010-03-18 — — US disclosed
US-20100068621-A1 NANOTUBE WIRING DOW GLOBAL TECHNOLOGIES LLC 2010-03-18 — — US disclosed
WO-2008047324-A2 NANOTUBE WIRING HIGH POWER LITHIUM S.A. (CH) 2008-04-24 — — WO disclosed
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