SCHEMBL10913060

SCHEMBL10913060

O=C(Nc1ccc2ccccc2c1)[C@H]1CCCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
RECQL P46063 1/20 0.58
PSMB8 P28062 2/20 0.56
ULK1 O75385 1/20 0.52
KHK P50053 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TERT O14746 1/20 0.49
EPHX1 P07099 1/20 0.49
SCN3A Q9NY46 2/20 0.48
SCN9A Q15858 2/20 0.48
LMNA P02545 2/20 0.48
HTR1E P28566 1/20 0.48
HTT P42858 1/20 0.48
S1PR3 Q99500 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL7187311 1.00 CYP1A2 (0.58) CYP1A2RECQLPSMB8ULK1KHK
SCHEMBL29757656 1.00 CYP1A2 (0.58) CYP1A2RECQLPSMB8ULK1KHK
SCHEMBL2293435 1.00 CYP1A2 (0.58) CYP1A2RECQLPSMB8ULK1KHK
Hydrochloric Acid SCHEMBL28580045 0.99 CYP1A2 (0.56) CYP1A2RECQLPSMB8ULK1KHK
SCHEMBL23373324 0.87 PFKFB3 (0.59) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL3341023 0.82 NPC1 (0.58) CYP1A2PSMB8ULK1MEN1KMT2A
SCHEMBL3343865 0.82 NPC1 (0.58) CYP1A2PSMB8ULK1MEN1KMT2A
SCHEMBL3341031 0.82 NPC1 (0.58) CYP1A2PSMB8ULK1MEN1KMT2A
SCHEMBL2172641 0.82 HPGD (0.56) CYP1A2PSMB8ULK1KHKMEN1
SCHEMBL2392383 0.82 HPGD (0.56) CYP1A2PSMB8ULK1KHKMEN1

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
US-4603108-A Method for identification of bacterial species NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-07-29 US claimed
EP-0018825-B1 A PROCESS FOR THE IDENTIFICATION OF BACTERIA AND A KIT OF REAGENTS FOR USE IN THIS PROCESS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-02-13 EP claimed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-4603108-A Method for identification of bacterial species NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-07-29 US disclosed
EP-0018825-B1 A PROCESS FOR THE IDENTIFICATION OF BACTERIA AND A KIT OF REAGENTS FOR USE IN THIS PROCESS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-02-13 EP disclosed
EP-0018825-A1 A process for the identification of bacteria and a kit of reagents for use in this process NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1980-11-12 EP disclosed