SCHEMBL27909545

SCHEMBL27909545

CC(F)CCNC1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.51
GNAI3 P08754 2/20 0.49
GNAO1 P09471 2/20 0.49
GNAI1 P63096 2/20 0.49
KCNH2 Q12809 1/20 0.38
DPP7 Q9UHL4 1/20 0.37
RAD52 P43351 1/20 0.36
EPHX1 P07099 2/20 0.32
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
KMT2A Q03164 1/20 0.31
EP300 Q09472 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
SCHEMBL6960762 0.84 SOS1 (0.54) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL20626535 0.81 SOS1 (0.51) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL21218127 0.79 GNAI3 (0.51) SOS1GNAI3GNAO1GNAI1KCNH2
Butane SCHEMBL27323486 0.78 GNAI3 (0.59) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL20648825 0.77 GNAI3 (0.58) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL20039920 0.76 GNAI3 (0.49) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL22415116 0.76 GNAI3 (0.56) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL19560897 0.76 GNAI3 (0.61) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL8851791 0.74 GNAI3 (0.50) SOS1GNAI3GNAO1GNAI1KCNH2
SCHEMBL19604920 0.74 GNAI3 (0.64) SOS1GNAI3GNAO1GNAI1KCNH2

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-103201267-A AMPK-activating heterocyclic compounds and methods of use thereof RIGEL PHARMACEUTICALS INC 2013-07-10 CN disclosed