SCHEMBL10694000

SCHEMBL10694000

Cc1nnc2ccc(-c3cccc(NC(=O)C(C)(C)C)c3)nn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.66
MAPT P10636 1/20 0.64
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63
BRD4 O60885 1/20 0.56
LIN28A Q9H9Z2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
GABRA1 P14867 1/20 0.56
HPGD P15428 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL10389277 0.88 SMN1; SMN2 (0.71) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL3476408 0.87 SMN1; SMN2 (0.73) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL10767950 0.86 MAPT (0.69) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL10389328 0.84 SMN1; SMN2 (0.66) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL3476495 0.84 MEN1 (0.71) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL10389605 0.82 MEN1 (0.69) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL10389884 0.82 SMN1; SMN2 (0.64) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL10695238 0.81 MAPT (0.63) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL10389949 0.81 SMN1; SMN2 (0.62) SMN1; SMN2MAPTKDM4EALDH1A1MEN1
SCHEMBL10389924 0.80 SMN1; SMN2 (0.71) SMN1; SMN2MAPTKDM4EALDH1A1MEN1

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-4767765-A ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1988-08-30 US 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