SCHEMBL8703241

SCHEMBL8703241

CCN(CC)C(=NCc1cnc(Cl)s1)SC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL8518974 0.85 LMNA (0.36) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL7657937 0.79 SMN1; SMN2 (0.35) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL7657932 0.79 SMN1; SMN2 (0.35) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL8867255 0.73 MAPT (0.36) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL8867247 0.73 MAPT (0.36) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL7666904 0.70 L3MBTL1 (0.36) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL9134253 0.69 ALDH1A1 (0.42) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL12077800 0.68 L3MBTL1 (0.40) L3MBTL1LMNAGAATDP1KMT2A
SCHEMBL7669297 0.67 KMT2A (0.39) L3MBTL1LMNATDP1KMT2AMEN1
SCHEMBL7550991 0.66 CYP1A2 (0.46) L3MBTL1LMNAGAATDP1KMT2A

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-5849768-A α-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-15 US disclosed