SCHEMBL6440320

SCHEMBL6440320

CN(C)C(=O)c1ccccc1-c1cc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.50
KDR P35968 2/20 0.50
CHEK1 O14757 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 3/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRD4 O60885 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL28906323 0.83 KDR (0.54) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL27437769 0.81 KDR (0.56) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL31310116 0.80 KDR (0.54) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL2860216 0.80 KDR (0.54) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL11365957 0.80 KDR (0.54) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL8734933 0.79 KDM4E (0.57) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL4623053 0.78 ESR1 (0.53) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL22230600 0.77 KDM4E (0.48) MEN1KMT2ASMN1; SMN2KDM4EMAPT
SCHEMBL7349368 0.77 BRD4 (0.53) MEN1KMT2ASMN1; SMN2KDM4EHPGD
SCHEMBL5716844 0.75 KDR (0.49) MEN1KMT2ASMN1; SMN2KDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042316-B1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS NIKEM RESEARCH SRL (IT) 2005-02-09 EP claimed
EP-1042316-B1 INDOLE DERIVATIVES USEFUL A.O. FOR THE TREATMENT OF OSTEOPOROSIS NIKEM RESEARCH SRL (IT) 2005-02-09 EP disclosed
US-6506758-B2 4-(5,6-dichloro-1H-indol-2-yl)-N-(1,2,2,6,6-pentamethyl -piperidin-4-yl)benzamide, for example; selective for mammalian osteoclasts, acting to selectively inhibit their bone resorbing activity SMITHKLINE BEECHAM LABORATOIRES PHARMCEUTIQUES (FR) 2003-01-14 US disclosed