SCHEMBL3856441

SCHEMBL3856441

COCCCCc1c(C(=O)O)nc2n1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.49
TP53 P04637 6/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20220774 0.90 REN (0.49) RENTP53LMNAMAPTPOLB
SCHEMBL1421010 0.86 REN (0.48) RENTP53LMNAMAPTPOLB
SCHEMBL13348007 0.80 LMNA (0.40) RENTP53LMNAMAPTPOLB
SCHEMBL12514949 0.79 TP53 (0.40) RENTP53LMNAMAPTPOLB
SCHEMBL4089055 0.74 MAPK1 (0.39) RENTP53LMNAMAPTPOLB
SCHEMBL24079283 0.68 MAPK1 (0.40) TP53LMNAMAPTPOLBNPC1
SCHEMBL19909627 0.68 MAPK1 (0.43) MAPTPOLBKDM4ENPC1RAB9A
SCHEMBL28470543 0.68 MAPK1 (0.40) TP53MAPTPOLBKDM4ENPC1
SCHEMBL28626993 0.68 MAPK1 (0.40) TP53MAPTPOLBKDM4ENPC1
SCHEMBL21357724 0.67 MAPK1 (0.38) TP53LMNAMAPTPOLBKDM4E

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-2009154300-A2 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-23 WO disclosed