SCHEMBL23178175

SCHEMBL23178175

CCCNCC(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
EPHX1 P07099 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
DPP4 P27487 1/20 0.43
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL12285100 0.89 GAA (0.50) KDM4EEPHX1ALDH1A1LMNAHPGD
SCHEMBL2016900 0.83 LMNA (0.48) KDM4EEPHX1ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL2018001 0.82 LMNA (0.47) KDM4EEPHX1ALDH1A1LMNAHPGD
SCHEMBL24330250 0.79 EPHX2 (0.55) EPHX1KMT2AMEN1GNAI3GNAO1
SCHEMBL11682924 0.78 MTNR1A (0.50) EPHX1ALDH1A1LMNAHPGDKMT2A
SCHEMBL256673 0.78
Hydrochloric Acid SCHEMBL28162204 0.76
SCHEMBL25447787 0.76 LMNA (0.55) EPHX1ALDH1A1LMNAHPGDKMT2A
SCHEMBL5988081 0.74
SCHEMBL20581686 0.74 SMN1; SMN2 (0.56) ALDH1A1HPGDKMT2AMEN1MAPT

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-2021058024-A1 LSD1 INHIBITOR 南京明德新药研发有限公司 2021-04-01 WO disclosed