SCHEMBL29950993

SCHEMBL29950993

CC(C)(C)OC(=O)Nc1ccncc1B(O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
CYP17A1 P05093 4/20 0.45
RAB9A P51151 1/20 0.42
METAP1 P53582 1/20 0.40
BRS3 P32247 1/20 0.40
ATR Q13535 1/20 0.39
LATS1 O95835 2/20 0.37

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
SCHEMBL1233405 1.00 NAMPT (0.46) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL29955026 0.88 NAMPT (0.46) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL1233798 0.88 NAMPT (0.46) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL18522430 0.84 NAMPT (0.50) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL3666785 0.82 NAMPT (0.48) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL2107971 0.82 NAMPT (0.48) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL18832828 0.82 NAMPT (0.43) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL29957527 0.81 CYP17A1 (0.47) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL1197794 0.81 CYP17A1 (0.47) NAMPTCYP17A1RAB9AMETAP1BRS3
SCHEMBL536056 0.81 NOD2 (0.50) NAMPTCYP17A1RAB9AMETAP1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed