SCHEMBL1632005

SCHEMBL1632005

O=C(c1cccnc1NCCc1ccccn1)c1cccnc1NCCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
HTT P42858 2/20 0.53
GLA P06280 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 2/20 0.47
POLB P06746 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
SCHEMBL10751127 0.78 METAP2 (0.50) CYP1A2KDM4EMEN1KMT2ALMNA
SCHEMBL426522 0.78 KMT2A (0.66) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL8690909 0.77 MAOA (0.50) LMNAHTTALDH1A1HPGDGAA
SCHEMBL10836345 0.75 CYP1A2 (0.53) CYP1A2KDM4EMEN1KMT2ALMNA
SCHEMBL15636237 0.75 MAPT (0.73) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL10753961 0.74 METAP2 (0.47) CYP1A2KDM4EMEN1KMT2ALMNA
SCHEMBL27581971 0.74 CYP1A2 (0.58) CYP1A2LMNATDP1HTTALDH1A1
SCHEMBL5554912 0.73 RPS6KB1 (0.65) CYP1A2KDM4EMAPTLMNAHTT
SCHEMBL31204891 0.73 RPS6KB1 (0.65) CYP1A2KDM4EMAPTLMNAHTT
SCHEMBL8692447 0.72 KDM4E (0.68) KDM4EMEN1MAPTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed