SCHEMBL9668102

SCHEMBL9668102

O=CCC(Br)CCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.41
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
CYP1A2 P05177 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7879516 0.77 METAP1 (0.41) METAP1ADH1BADH1CADH1AADH4
SCHEMBL9668100 0.76 METAP1 (0.43) METAP1ADH1BADH1CADH1AADH4
SCHEMBL6564265 0.74 METAP1 (0.38) METAP1ADH1BADH1CADH1AADH4
SCHEMBL16933893 0.72 METAP1 (0.45) METAP1CYP1A2SIGMAR1HPGD
SCHEMBL28022207 0.69 CYP1A2 (0.42) METAP1CYP1A2SIGMAR1
SCHEMBL8022645 0.69 METAP1 (0.47) METAP1CYP1A2SIGMAR1HPGD
SCHEMBL18526419 0.68 METAP1 (0.47) METAP1ADH1BADH1CADH1AADH4
SCHEMBL14104894 0.68 METAP1 (0.52) METAP1ADH1BADH1CADH1AADH4
SCHEMBL10069252 0.68 METAP1 (0.52) METAP1ADH1BADH1CADH1AADH4
SCHEMBL4993524 0.68 METAP1 (0.40) METAP1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279298-B1 TRICYCLIC TRIAZOLOPYRIMIDINE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1992-01-15 EP disclosed
US-4898943-A Tricyclic triazolopyrimidine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1990-02-06 US disclosed
EP-0279298-A1 Tricyclic triazolopyrimidine derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1988-08-24 EP disclosed