SCHEMBL7688624

SCHEMBL7688624

O=C(NC1NCc2ccccc21)c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CHRNB2 P17787 4/20 0.46
CHRNB4 P30926 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNA4 P43681 4/20 0.46
PRMT5 O14744 1/20 0.43
HTT P42858 3/20 0.41
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
BCAT2 O15382 1/20 0.40
DRD3 P35462 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7129435 0.80 HTT (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6615213 0.75 TAS1R3 (0.62) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28148420 0.74 MTNR1A (0.44) ALDH1A1SMN1; SMN2NPSR1TSHRTP53
SCHEMBL3730600 0.73 GAA (0.52) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6711198 0.70 GAA (0.76) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28138333 0.69 TAS1R3 (0.56) GAAALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL8889128 0.69 GAA (0.55) GAAALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7232761 0.69 GAA (0.74) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10920889 0.68 DRD1 (0.35) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL5068216 0.67 GAA (0.59) GAAALDH1A1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002014277-A1 BIPHENYLCARBOXAMIDOISOINDOLINE COMPOUNDS, PROCESSES FOR THE PREPARATION OF THE SAME AND INTERMEDIATES FOR THE SYNTHESIS THEREOF TANABE SEIYAKU CO., LTD. (JP) 2002-02-21 WO disclosed