SCHEMBL5317110

SCHEMBL5317110

N#CC1=CC(c2ccccc2)CC=C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CUL4A Q13619 1/20 0.33
GAA P10253 3/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL24617766 0.79 KIF11 (0.38)
SCHEMBL22475296 0.72 SLC18A3 (0.32) SLC18A3SIGMAR1GAATSHRMAPT
SCHEMBL5437594 0.72 MAOB (0.34) SLC18A3SIGMAR1GAATSHRMAPT
SCHEMBL12673469 0.72 SLC18A3 (0.36) CA2SLC18A3SIGMAR1GAATSHR
SCHEMBL1498098 0.71 CA1 (0.39) CA1CA2CUL4AGAATSHR
SCHEMBL29678250 0.70 SLC18A3 (0.31) SLC18A3SIGMAR1GAATSHRMAPT
Water SCHEMBL15069642 0.68 KDM4E (0.38) GAATSHRMAPTKDM4EKMT2A
SCHEMBL21574132 0.67
SCHEMBL22810142 0.67 CA1 (0.32) CA1CA2
SCHEMBL8268163 0.67

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-1509497-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES Amgen Inc. (US) 2005-03-02 EP claimed
WO-2003099776-A1 CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES AMGEN INC. (US) 2003-12-04 WO claimed
EP-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 EP claimed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 WO claimed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed