SCHEMBL8868321

SCHEMBL8868321

CC(=O)Nc1ccc(C(=O)Nc2ccc(CC[O])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.63
APBA1 Q02410 1/20 0.63
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 3/20 0.54
TRPV1 Q8NER1 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
NR1H4 Q96RI1 3/20 0.54
EPHX2 P34913 1/20 0.54
HTT P42858 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.50
HIF1A Q16665 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
SCHEMBL8868289 0.90 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL8867477 0.87 NPC1 (0.71) MEN1KMT2AALDH1A1TRPV1POLB
SCHEMBL8868328 0.87 CACNA1B (0.63) CACNA1BAPBA1MEN1KMT2ACYP2C9
SCHEMBL8867408 0.85 KMT2A (0.59) MEN1KMT2AALDH1A1HPGDNR1H4
SCHEMBL8867185 0.84 NPC1 (0.63) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL13210697 0.84 CACNA1B (0.85) CACNA1BAPBA1MEN1KMT2AALDH1A1
SCHEMBL8867874 0.84 KMT2A (0.58) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL8867048 0.84 POLB (0.71) MEN1KMT2ATRPV1POLBNR1H4
SCHEMBL8867653 0.84 MITF (0.68) MEN1KMT2AALDH1A1POLBNPC1
SCHEMBL8867694 0.83 PTPN1 (0.62) CACNA1BAPBA1MEN1KMT2AALDH1A1

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
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed