SCHEMBL7648929

SCHEMBL7648929

CC(C)(C)[Si](C)(C)OCCCc1cc2ccccc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ HPGD P15428 3/20 0.54
▸ TSHR P16473 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.45
▸ IL4I1 Q96RQ9 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DUT P33316 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ PDE10A Q9Y233 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
SCHEMBL7649393 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL75303 0.77 LOXL2 (0.45) KDM4EALDH1A1HPGD
SCHEMBL1370758 0.74 KDM4E (0.59) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL18499080 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL30274765 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL11709052 0.73 KDM4E (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7646960 0.73 DAO (0.53) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL23610120 0.73 DUT (0.44) DUT
SCHEMBL13349416 0.72 KDM4E (0.59) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL5946187 0.72 SLC6A4 (0.52) KDM4EALDH1A1CYP1A2MAPT

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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 — — US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 — — EP disclosed
Send feedback