SCHEMBL6632002

SCHEMBL6632002

COc1ccc(-c2ccn(OC(=O)Nc3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 2/20 0.50
ADORA3 P0DMS8 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AURKA O14965 2/20 0.47
PRKDC P78527 1/20 0.47
ATR Q13535 1/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ADRB2 P07550 1/20 0.46
HPGD P15428 1/20 0.46
CNR1 P21554 1/20 0.45
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL6632687 0.81 AURKA (0.47) ALDH1A1MEN1KMT2AAURKATP53
SCHEMBL6637485 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HTTGAAKDM4E
SCHEMBL5649534 0.77 LIPE (0.47) SMN1; SMN2ALDH1A1HTTKDM4EMEN1
SCHEMBL6633229 0.76 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HTTGAAMEN1
SCHEMBL6629379 0.76 NPC1 (0.46) SMN1; SMN2KDM4EADORA3MEN1KMT2A
SCHEMBL424289 0.76 RAB9A (0.58) SMN1; SMN2ALDH1A1GAAKDM4EADORA3
SCHEMBL427395 0.75 RAB9A (0.58) SMN1; SMN2ALDH1A1GAAKMT2AAURKA
SCHEMBL6634859 0.74 RAB9A (0.41) SMN1; SMN2ALDH1A1HTTGAAKDM4E
SCHEMBL6631787 0.73 KMT2A (0.42) SMN1; SMN2ALDH1A1HTTGAAMEN1
SCHEMBL5650551 0.72 HPGD (0.47) SMN1; SMN2ALDH1A1HTTGAAKDM4E

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
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed