SCHEMBL10389605

SCHEMBL10389605

CCCC(=O)Nc1cccc(-c2ccc3nnc(C)n3n2)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
RECQL P46063 2/20 0.69
KMT2A Q03164 2/20 0.69
POLB P06746 2/20 0.69
SMN1; SMN2 Q16637 8/20 0.66
MAPT P10636 2/20 0.62
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
BRD4 O60885 1/20 0.54
LIN28A Q9H9Z2 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL3476495 0.91 MEN1 (0.71) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10389277 0.86 SMN1; SMN2 (0.71) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL3476408 0.85 SMN1; SMN2 (0.73) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10767950 0.84 MAPT (0.69) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10694000 0.82 SMN1; SMN2 (0.66) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10389328 0.82 SMN1; SMN2 (0.66) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10389884 0.80 SMN1; SMN2 (0.64) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10767471 0.80 SMN1; SMN2 (0.71) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10695238 0.80 MAPT (0.63) MEN1RECQLKMT2APOLBSMN1; SMN2
SCHEMBL10389949 0.79 SMN1; SMN2 (0.62) MEN1RECQLKMT2APOLBSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4892873-A MUSCLE RELAXANTS, ANTIEPILEPTIC, AN XIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1990-01-09 US disclosed
US-4767765-A ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1988-08-30 US disclosed
EP-0223974-A1 N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed
US-4654343-A USEFUL AS ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AS WELL AS SEDATIVE-HYPNOTIC AND SKELETAL MUSCLE RELAXANT AGENTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 US disclosed