SCHEMBL9870079

SCHEMBL9870079

CC(C)(C)CC(=O)Oc1nn(Cc2ncc(Br)o2)c(=O)c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 1/20 0.30
BRD4 O60885 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
SCHEMBL9870990 0.79 AKR1B1 (0.62) AKR1B1MEN1KMT2A
SCHEMBL9870150 0.76 AKR1B1 (0.54) AKR1B1MEN1KMT2A
SCHEMBL9870869 0.76 AKR1B1 (0.61) AKR1B1
SCHEMBL9870468 0.75 AKR1B1 (0.50) AKR1B1RAB9ASMN1; SMN2
SCHEMBL9870702 0.72 AKR1B1 (0.54) AKR1B1
SCHEMBL9872250 0.71 AKR1B1 (0.57) AKR1B1MEN1KMT2A
SCHEMBL9871583 0.71 AKR1B1 (0.61) AKR1B1
SCHEMBL9870810 0.71 AKR1B1 (0.67) AKR1B1
SCHEMBL9870728 0.70 AKR1B1 (0.35) AKR1B1
SCHEMBL9870643 0.68 AKR1B1 (0.52) AKR1B1RAB9A

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-4996204-A Antidiabetic agents PFIZER INC. (US) 1991-02-26 US disclosed