SCHEMBL4673552

SCHEMBL4673552

NC(=O)c1ccc(-n2nnn(CCSc3ccccc3)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
ALPG P10696 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL4673554 0.85 KMT2A (0.47) MAPK1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4673352 0.80 MAPK1 (0.50) MAPK1ATMKMT2AMEN1ALDH1A1
SCHEMBL4670084 0.79 ROCK2 (0.56) MAPK1ATMKMT2AMEN1ALDH1A1
SCHEMBL4676105 0.79 PKM (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4675102 0.78 ALDH1A1 (0.42) MAPK1ATMKMT2AMEN1SMN1; SMN2
SCHEMBL4670479 0.73 ALDH1A1 (0.39) MAPK1ATMKMT2AMEN1SMN1; SMN2
SCHEMBL4670468 0.72 PARP15 (0.42) MAPK1ATMKMT2AMEN1ALDH1A1
SCHEMBL4670421 0.72 PARP10 (0.42) MAPK1ATMKMT2AMEN1ALDH1A1
SCHEMBL4675910 0.72 PARP10 (0.39) MAPK1ATMKMT2AMEN1SMN1; SMN2
SCHEMBL4670081 0.71 ADRB2 (0.42) MAPK1ATMALDH1A1TSHRNPC1

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
EP-1054881-B1 NOVEL SULFONAMIDE SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER CORP (US) 2008-07-30 EP disclosed