SCHEMBL10856486

SCHEMBL10856486

O=C(O)c1ccccc1C(=O)NCCCn1ccnc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
HSD17B10 Q99714 3/20 0.69
SMN1; SMN2 Q16637 5/20 0.66
NPC1 O15118 2/20 0.66
TP53 P04637 2/20 0.64
MAPK1 P28482 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
THRB P10828 1/20 0.64
TSHR P16473 1/20 0.62
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
HIF1A Q16665 1/20 0.61
POLB P06746 1/20 0.60

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
SCHEMBL10655218 0.88 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL12323976 0.88 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL1775216 0.86 SMN1; SMN2 (0.82) MEN1KMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11010135 0.86 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL4638870 0.85 MEN1 (0.59) MEN1KMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL10654653 0.85 MEN1 (0.64) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL14552522 0.84 MEN1 (0.69) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL14552392 0.84 MEN1 (0.66) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL14552420 0.83 MEN1 (0.83) MEN1KMT2AHSD17B10SMN1; SMN2NPC1
SCHEMBL10926938 0.83 MEN1 (0.65) MEN1KMT2AHSD17B10SMN1; SMN2NPC1

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-4568687-A THROMBOXANE SYNTHETASE TNZYME INHIBITORS; HYPOTENSIVE AGENTS, CARDIOTONIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-02-04 US disclosed
EP-0117462-A2 N-(2-4-(1H-imidazol-1-yl)alkyl)arylamides AMERICAN CYANAMID COMPANY (US) 1984-09-05 EP disclosed