SCHEMBL10849986

SCHEMBL10849986

CN(C)CCCNc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 1/20 0.49
PPARG P37231 1/20 0.47
GLA P06280 1/20 0.46
BRCA1 P38398 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
APOBEC3A P31941 1/20 0.43
RAD52 P43351 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
AGTR1 P30556 1/20 0.43
BDKRB1 P46663 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
Hydrochloric Acid SCHEMBL10847603 0.99 KMT2A (0.51) KMT2AALDH1A1KDM4EMEN1PPARG
SCHEMBL10847167 0.87 ALDH1A1 (0.52) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL9279131 0.84 KMT2A (0.56) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3685489 0.84 KDM4E (0.49) KMT2AALDH1A1KDM4EGLABRCA1
SCHEMBL2211478 0.82 KMT2A (0.55) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7751503 0.82 KDM4E (0.61) KMT2AALDH1A1KDM4EMEN1PPARG
SCHEMBL10850012 0.81 CXCL8 (0.47) KMT2AALDH1A1KDM4EMEN1BRCA1
SCHEMBL8585150 0.80 KMT2A (0.59) KMT2AALDH1A1KDM4EGLAHPGD
SCHEMBL28326146 0.79 NPC1 (0.54) KMT2AALDH1A1KDM4EMEN1SMN1; SMN2
SCHEMBL1532856 0.77 KMT2A (0.58) KMT2AALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4560510-A CONDENSATION OF AN AMINOCHLOROPYRIDINE WITH A ARYL(AMINOPHENYL)METHANONE WITH A BASE) A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-24 US claimed
EP-0157656-A2 Process and intermediates for the preparation of aryl substituded pyrido [1,4] benzodiazepines A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-09 EP claimed
US-4628100-A ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1986-12-09 US disclosed
US-4560510-A CONDENSATION OF AN AMINOCHLOROPYRIDINE WITH A ARYL(AMINOPHENYL)METHANONE WITH A BASE) A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-24 US disclosed
EP-0157656-A2 Process and intermediates for the preparation of aryl substituded pyrido [1,4] benzodiazepines A.H. ROBINS COMPANY, INCORPORATED (US) 1985-10-09 EP disclosed