SCHEMBL20116232

SCHEMBL20116232

CCCNC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
MCL1 Q07820 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HIF1A Q16665 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
MGLL Q99685 1/20 0.59
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
POLB P06746 2/20 0.58
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.56

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
SCHEMBL12259200 0.82 TDP1 (0.81) KMT2AALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL19419916 0.81 TSHR (0.70) ALDH1A1SMN1; SMN2NPSR1TDP1ATM
SCHEMBL20116457 0.79 POLB (0.78) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL20116234 0.79 ALDH1A1 (0.63) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL11751984 0.78 NPC1 (0.54) KMT2AALDH1A1SMN1; SMN2NPSR1TDP1
SCHEMBL30157791 0.73 GAA (0.63) KMT2AALDH1A1KDM4EMAPTTDP1
SCHEMBL10202314 0.72 TSHR (0.71) KMT2AALDH1A1ATML3MBTL1NPC1
SCHEMBL19836108 0.72 ALDH1A1 (0.66) KMT2AALDH1A1MAPTTDP1ATM
SCHEMBL30158578 0.71 ALDH1A1 (0.60) KMT2AALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL20116142 0.71 POLB (0.60) KMT2AALDH1A1KDM4EMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed