SCHEMBL21739328

SCHEMBL21739328

C=C(C)N1CCN2C(=O)CC[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.37
KDM5A P29375 1/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
VNN1 O95497 3/20 0.33
MEN1 O00255 2/20 0.33
GFER P55789 1/20 0.33
SCN9A Q15858 1/20 0.33
POLB P06746 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL21739460 1.00 SPR (0.37) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL21739380 0.90 KDM5A (0.39) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL18711619 0.85 SPR (0.40) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL24070654 0.80 SPR (0.34) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL23392344 0.79 AKR1C3 (0.39) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL23392436 0.79 AKR1C3 (0.39) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL23392434 0.79 AKR1C3 (0.39) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL16516001 0.78 SPR (0.38) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL10305073 0.78 SPR (0.38) SPRKDM5AKMT2ANPC1RAB9A
SCHEMBL18701912 0.78 VNN1 (0.39) SPRKDM5AKMT2ANPC1RAB9A

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-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed