SCHEMBL9112467

SCHEMBL9112467

Nc1ccc(N2CCNCC2)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
KDM4E B2RXH2 4/20 0.56
THRB P10828 3/20 0.56
ALOX15 P16050 2/20 0.56
HSD17B10 Q99714 2/20 0.56
GFER P55789 1/20 0.56
YWHAG P61981 1/20 0.56
HTT P42858 1/20 0.55
TOP1 P11387 1/20 0.48
TOP2A P11388 1/20 0.48
ALDH1A1 P00352 5/20 0.46
RECQL P46063 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46

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
SCHEMBL2336439 0.85 KDM4E (0.76) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL6254176 0.84 HTT (0.77) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL11610621 0.84 HTT (0.77) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL29805092 0.81 LMNA (0.50) MAPTKDM4EHSD17B10HTTTOP2A
SCHEMBL2855312 0.81 SMN1; SMN2 (0.60) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL23546131 0.81 HTR3A (0.50) ALDH1A1CYP3A4CYP2C9PTGS2HTR6
SCHEMBL20141454 0.81 LMNA (0.50) MAPTKDM4EHSD17B10HTTTOP2A
SCHEMBL11100139 0.81 KDM4E (0.56) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL9113476 0.81 KDM4E (0.58) MEN1KMT2AMAPTKDM4ETHRB
SCHEMBL9113475 0.80 GAA (0.52) MEN1KMT2AMAPTKDM4ETHRB

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
WO-1995017471-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO claimed
WO-1995017472-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO claimed
US-5453495-A Disazo compounds containing an optionally substituted piperazinyl group ZENECA LIMITED (GB) 1995-09-26 US disclosed
WO-1995017471-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed
WO-1995017472-A1 DISAZO COMPOUND ZENECA LIMITED (GB) 1995-06-29 WO disclosed