SCHEMBL18924369

SCHEMBL18924369

CCCC(C)Cc1ccc(C2CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
NOTUM Q6P988 2/20 0.33
CSF1R P07333 2/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTOR P42345 2/20 0.32
PRMT5 O14744 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
PTGES O14684 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL19821854 0.82 ABL1 (0.38) IDO1NOTUMCSF1RMEN1KMT2A
SCHEMBL10472195 0.79 MAPT (0.36) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL10472196 0.79 MAPT (0.36) IDO1MEN1KMT2ANPC1RAB9A
SCHEMBL21503622 0.77 SMN1; SMN2 (0.43) IDO1NOTUMCSF1RMEN1KMT2A
SCHEMBL12151773 0.77 PDE10A (0.43) IDO1NOTUMCSF1RMEN1KMT2A
SCHEMBL24973095 0.76 KMT2A (0.41) MEN1KMT2AGABRA1SMN1; SMN2
SCHEMBL11502287 0.74 RAB9A (0.50) IDO1MEN1KMT2AL3MBTL1NPC1
SCHEMBL18924321 0.74 CPB2 (0.50) GABRA1
SCHEMBL19822092 0.74 ALDH1A1 (0.41) L3MBTL1SMN1; SMN2
SCHEMBL24974211 0.74 CYP11B1 (0.37)

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-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed