SCHEMBL9840377

SCHEMBL9840377

CCCCCCCCCc1cnc(-c2ccc(OC(=O)C(CC)CCC)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 6/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 2/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL9840512 1.00 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9839577 1.00 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9839806 1.00 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9840291 0.99 RARB (0.56) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9839540 0.95 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9840801 0.95 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9840561 0.95 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9840634 0.95 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9840775 0.95 RARB (0.60) RARBSMN1; SMN2MAPTRAB9AGAA
SCHEMBL9840788 0.94 RARB (0.58) RARBSMN1; SMN2MAPTRAB9AGAA

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
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed