SCHEMBL9568208

SCHEMBL9568208

COC(=O)NC(=N)c1ccc(-c2ccc(C(=O)NC3CCC(C(=O)OC4CCN(C)CC4)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
JAK1 P23458 1/20 0.41
ROCK2 O75116 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
DYRK1A Q13627 1/20 0.38
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 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
SCHEMBL9568210 1.00 SCN1A (0.44) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL9568132 0.89 SCN1A (0.38) SCN1ASCN2ASCN3AROCK2DYRK1A
SCHEMBL9568128 0.89 SCN1A (0.38) SCN1ASCN2ASCN3AROCK2DYRK1A
SCHEMBL9568080 0.87 SCN1A (0.46) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL9568078 0.87 SCN1A (0.46) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL8407972 0.85 SMN1; SMN2 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9568212 0.83 SMN1; SMN2 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9568207 0.83 SMN1; SMN2 (0.45) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9568234 0.78 ALDH1A1 (0.43) RAB9A
SCHEMBL9568245 0.77 F2 (0.41) SCN1ASCN2ASCN3ABMPR1BBMPR1A

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-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed