SCHEMBL486447

SCHEMBL486447

CN(c1cc(Cl)ccc1F)N1COC2(CCC(Cc3cnc(Cl)s3)CC2)O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL486728 0.66 ALDH1A1 (0.42) ALDH1A1
SCHEMBL17865902 0.59 FLT3 (0.31)
SCHEMBL29281499 0.58 HRH3 (0.44) ALDH1A1
SCHEMBL18226713 0.54 ALDH1A1 (0.54) ALDH1A1
SCHEMBL6784500 0.52 ALDH1A1 (0.45) ALDH1A1
SCHEMBL2090608 0.52 LMNA (0.49) ALDH1A1
SCHEMBL6469671 0.52 HRH3 (0.49) ALDH1A1
SCHEMBL13223227 0.51 KMT2A (0.44) ALDH1A1
SCHEMBL14935031 0.50 FPR2 (0.50)
SCHEMBL1809044 0.49 TRPV3 (0.35)

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-2410854-A2 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO Ý4,5¨DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2012-02-01 EP claimed
WO-2010109299-A2 SUBSTITUTED 1, 4-DIOXA-8-AZASPIRO [4,5] DECANES USEFUL AS FUNGICIDES AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-30 WO claimed