SCHEMBL7787589

SCHEMBL7787589

COc1ccc(C(c2cccc(Nc3c(N)c(=O)c3=O)c2)[C@@H](C)NC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.41
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GALR2 O43603 3/20 0.38
GALR1 P47211 3/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
PIM1 P11309 1/20 0.34
PLK1 P53350 1/20 0.34

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
SCHEMBL7789190 0.81 ACKR3 (0.41) ACKR3POLBMEN1KMT2AGALR2
SCHEMBL7785718 0.81 ACKR3 (0.41) ACKR3POLBMEN1KMT2AGALR2
SCHEMBL7785626 0.76 MEN1 (0.41) ACKR3POLBMEN1KMT2AGALR2
SCHEMBL7787667 0.73 MAPKAPK2 (0.46) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL7787529 0.72 MAPKAPK2 (0.44) POLBMEN1KMT2AMAPKAPK2ROCK2
SCHEMBL7785096 0.71 MEN1 (0.40) ACKR3POLBMEN1KMT2AGALR2
SCHEMBL7787472 0.71 MEN1 (0.40) ACKR3POLBMEN1KMT2AGALR2
SCHEMBL7785298 0.70 KMT2A (0.44) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL7780340 0.70 KMT2A (0.42) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL7780703 0.70 MEN1 (0.42) POLBMEN1KMT2AALDH1A1LMNA

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-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed