SCHEMBL6667658

SCHEMBL6667658

CC(Cl)c1nccc2ccoc12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.39
TRPA1 O75762 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
SCHEMBL18238920 0.85 ASIC3 (0.41) ASIC3TRPA1
SCHEMBL658129 0.71 ASIC3 (0.41) ASIC3TRPA1
SCHEMBL8272976 0.70 MAOA (0.39) ASIC3TRPA1
SCHEMBL8024180 0.70 CYP2A6 (0.48) ASIC3TRPA1
SCHEMBL6638130 0.68 LMNA (0.54)
SCHEMBL7236004 0.67
SCHEMBL658524 0.66 NOS3 (0.43) ASIC3TRPA1
SCHEMBL30812428 0.66 TRPA1 (0.42) ASIC3TRPA1
SCHEMBL20719886 0.66 ASIC3 (0.40) ASIC3TRPA1
SCHEMBL30491673 0.66 NOS3 (0.43) ASIC3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824524-B1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE UPJOHN CO (US) 2004-09-08 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO disclosed