SCHEMBL6960969

SCHEMBL6960969

O=C1CC(C(S)c2ccccc2)N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.37
BRD4 O60885 7/20 0.37
EP300 Q09472 1/20 0.37
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL6968269 1.00 CREBBP (0.37) CREBBPBRD4EP300RAB9AALOX5
SCHEMBL6978352 0.67 KMT2A (0.39)
SCHEMBL12148832 0.66
SCHEMBL3818825 0.66 CREBBP (0.45) CREBBPBRD4EP300RAB9ADAO
SCHEMBL6247618 0.64 BRD4 (0.50) CREBBPBRD4
SCHEMBL157619 0.64 BRD4 (0.50) CREBBPBRD4
SCHEMBL9295153 0.64 BRD4 (0.50) CREBBPBRD4
SCHEMBL8773531 0.63 BRD4 (0.36) CREBBPBRD4EP300ALOX5
SCHEMBL12064639 0.63 SLC6A2 (0.45)
SCHEMBL6540248 0.62 DAO (0.36) CREBBPALOX5DAO

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-1023265-B1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM CA LTD (CA) 2003-01-15 EP disclosed
US-6211170-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-04-03 US disclosed