SCHEMBL6932644

SCHEMBL6932644

Cc1ccc(C(=O)Nc2nc3ccccc3n2C(C)N(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
TSHR P16473 3/20 0.58
HPGD P15428 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
RAB9A P51151 5/20 0.56
NPC1 O15118 3/20 0.56
RXFP1 Q9HBX9 2/20 0.56
OPRK1 P41145 2/20 0.53
USP2 O75604 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.52
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
Hydrochloric Acid SCHEMBL6930435 0.91 RAB9A (0.62) KDM4ETSHRHPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL6929902 0.79 KDM4E (0.61) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL6933206 0.77 KDM4E (0.71) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL6932648 0.76 KDM4E (0.82) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL11702089 0.75 RAB9A (0.64) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL6929889 0.75 ADORA3 (0.47) KDM4ETSHRHPGDMEN1KMT2A
Dimethylamine SCHEMBL6932652 0.74 KDM4E (0.79) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL11702096 0.73 RAB9A (0.65) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL16201551 0.72 PDE11A (0.84) KDM4ETSHRHPGDMEN1KMT2A
SCHEMBL3600498 0.71 IRAK4 (0.62) KDM4ETSHRHPGDMEN1KMT2A

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-6660870-B1 Serotonergic compounds which possess agonist activity at 5-HT2 receptors effectively lower and control normal and elevated IOP and are useful for treating glaucoma ALCON, INC. (CH) 2003-12-09 US disclosed
WO-2001070705-A1 2-ACYLAMINOBENZIMIDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed