SCHEMBL28065359

SCHEMBL28065359

O=c1c2ccccc2nc(-c2ccccc2)n1NCCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
TSHR P16473 3/20 0.69
KMT2A Q03164 7/20 0.61
MEN1 O00255 5/20 0.61
GAA P10253 2/20 0.58
LMNA P02545 4/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 2/20 0.54
HPGD P15428 1/20 0.54
NPY1R P25929 1/20 0.54
HTT P42858 1/20 0.54
ACP1 P24666 4/20 0.54
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
TOP2A P11388 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL13930025 0.87 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL4246664 0.86 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1326596 0.77 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL4242686 0.74 LMNA (0.65) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1463935 0.71 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1085597 0.71 ACP1 (0.87) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL8691758 0.71 CHRM1 (0.63) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL10746799 0.71 ELANE (0.61) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL4957015 0.70 MAPT (0.62) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL30457841 0.70 ACP1 (1.00) KMT2AMEN1LMNAACP1TOP2A

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
CN-105593224-A Novel quinazolinones as bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-05-18 CN disclosed