SCHEMBL18909475

SCHEMBL18909475

CNCCC(=O)N1CCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL13188548 0.96 ATM (0.58) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL12446607 0.94 ATM (0.56) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL20693526 0.94 ATM (0.56) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL13188549 0.83 TDP1 (0.45) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL17057244 0.83 KMT2A (0.45) ATMTDP1MEN1KMT2AALDH1A1
SCHEMBL12435378 0.83 ATM (0.65) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL4566692 0.82 ATM (0.63) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL2388012 0.82 ALDH1A1 (0.38) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL3732338 0.82 ALDH1A1 (0.38) ATML3MBTL1TDP1MEN1KMT2A
SCHEMBL12352492 0.82 TPSAB1 (0.41) ATMTDP1MEN1KMT2AALDH1A1

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-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 WO disclosed