SCHEMBL9339746

SCHEMBL9339746

COC(=O)c1ccc(=O)n(CCCNC(=O)c2cccnc2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
DRD3 P35462 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL9339094 0.94 ALDH1A1 (0.52) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL9341135 0.88 ALDH1A1 (0.58) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL9339728 0.87 TSHR (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL9339717 0.84 ALDH1A1 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL9339777 0.83 KMT2A (0.53) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9339654 0.82 KMT2A (0.57) SMN1; SMN2KMT2AMEN1ALDH1A1HTR1A
SCHEMBL9339795 0.82 KMT2A (0.58) SMN1; SMN2RAB9AKMT2AMEN1TDP1
SCHEMBL9343650 0.81 RAB9A (0.50) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9339116 0.81 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9343014 0.80 KMT2A (0.51) KMT2AMEN1TSHREPHX2HTR1A

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
US-5360808-A Cardiovascular disorders, antispasmodic agents, hypotensive disorders, brains, anticonvulsants and antiepileptics HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0556738-A1 Pyridinylcarbonylaminoalkyl-dihydro-oxo-pyridines, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP disclosed