SCHEMBL22856502

SCHEMBL22856502

C=C(C)N1CCC(CCCCC)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.45
GNAI3 P08754 6/20 0.45
GNAI1 P63096 6/20 0.45
PKM P14618 1/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
LSS P48449 2/20 0.39
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL21023599 0.86 GNAO1 (0.38) GNAO1GNAI3GNAI1PKMHTT
SCHEMBL13597080 0.81 GNAI3 (0.53) GNAO1GNAI3GNAI1PKMHTT
SCHEMBL22562145 0.80 GNAI3 (0.55) GNAO1GNAI3GNAI1PKMHTT
SCHEMBL18761634 0.80 GNAI3 (0.55) GNAO1GNAI3GNAI1PKMHTT
SCHEMBL22150235 0.79 AKR1C3 (0.37) GNAO1GNAI3GNAI1
SCHEMBL21078068 0.78 LSS (0.50) GNAO1GNAI3GNAI1PKMHTT
SCHEMBL22756299 0.78 EPHX2 (0.35) GNAO1GNAI3GNAI1POLB
SCHEMBL27793328 0.78 GNAI3 (0.53) GNAO1GNAI3GNAI1PKMHTT
SCHEMBL22302356 0.77 GNAO1 (0.46) GNAO1GNAI3GNAI1
SCHEMBL5810827 0.76 GNAI3 (0.51) GNAO1GNAI3GNAI1PKMHTT

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
WO-2020264490-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 WO disclosed