SCHEMBL28037584

SCHEMBL28037584

C#Cc1ccc(N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
PLA2G7 Q13093 1/20 0.41
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
S1PR1 P21453 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL15122274 0.85 NOTUM (0.51) NOTUMS1PR1PDE3BPDE3A
SCHEMBL28037158 0.85 NCF1 (0.45) NOTUM
SCHEMBL250177 0.84 NOTUM (0.47) NOTUMAR
SCHEMBL28037155 0.84 ALDH1A1 (0.45) NOTUMPDE3BPDE3AAR
SCHEMBL3532873 0.83 NOTUM (0.48) NOTUMAR
SCHEMBL25194643 0.76 ALDH1A1 (0.59) NOTUM
SCHEMBL249224 0.76 NOTUM (0.50) NOTUMS1PR1PDE3BPDE3A
SCHEMBL3849954 0.76 NOTUM (0.54) NOTUMS1PR1PDE3BPDE3A
SCHEMBL30336413 0.76 ALDH1A1 (0.59) NOTUM
SCHEMBL1929368 0.76 ALDH1A1 (0.59) NOTUM

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
CN-105061326-A Pyridazinone derivatives as well as preparation method and application thereof SICHUAN BAILI PHARMACEUTICAL CO LTD 2015-11-18 CN disclosed