SCHEMBL2711706

SCHEMBL2711706

Nc1cccc(-c2ccccc2Br)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
ASIC3 Q9UHC3 1/20 0.53
BACE1 P56817 2/20 0.46
PTPN1 P18031 1/20 0.44
IDO1 P14902 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
NOS1 P29475 3/20 0.39
PDE10A Q9Y233 1/20 0.39
ATR Q13535 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MPI P34949 1/20 0.38

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
SCHEMBL22321015 0.85 HSD17B10 (0.53) HSD17B10PTPN1IDO1LMNAALDH1A1
SCHEMBL30471402 0.85 HSD17B10 (0.53) HSD17B10PTPN1IDO1LMNAALDH1A1
SCHEMBL30166486 0.76 MPL (0.55) ASIC3BACE1IDO1ALDH1A1NOS3
SCHEMBL3366206 0.76 ASIC3 (0.53) ASIC3BACE1PTPN1IDO1NOS3
SCHEMBL30251342 0.76 ASIC3 (0.53) HSD17B10ASIC3BACE1PTPN1IDO1
SCHEMBL12592255 0.76 ASIC3 (0.53) HSD17B10ASIC3ALDH1A1MAPK1NOS3
SCHEMBL1915309 0.76 ASIC3 (0.53) HSD17B10ASIC3BACE1PTPN1IDO1
SCHEMBL3935260 0.76 MPL (0.55) ASIC3BACE1IDO1ALDH1A1NOS3
SCHEMBL27859531 0.76 ASIC3 (0.53) HSD17B10ASIC3IDO1LMNAALDH1A1
SCHEMBL10752750 0.76 CCR1 (0.58) HSD17B10PTPN1IDO1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630172-A1 PRECATALYSTS FOR PREPARATION OF POLYOLEFINS AND USE THEREOF Deutsche Institute für Textil- und Faserforschung Denkendorf (DE) 2013-08-28 EP disclosed
WO-2012052436-A1 PRECATALYSTS FOR PREPARATION OF POLYOLEFINS AND USE THEREOF DEUTSCHE INSTITUTE FÜR TEXTIL- UND FASERFORSCHUNG DENKENDORF (DE) 2012-04-26 WO disclosed