SCHEMBL11048463

SCHEMBL11048463

Nc1ccc(Nc2ccc(CN3CCN(Cc4ccccc4)C(=O)C3=O)cc2)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.43
P2RX7 Q99572 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL11052061 0.80 MET (0.49) METP2RX7L3MBTL1MAPTPRKAA2
SCHEMBL11050145 0.74 MEN1 (0.62) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL11044512 0.74 L3MBTL1 (0.46) P2RX7L3MBTL1KCNH2GRM2ALDH1A1
SCHEMBL11045628 0.72 L3MBTL1 (0.51) P2RX7L3MBTL1KCNH2ALDH1A1KMT2A
SCHEMBL11052192 0.71 KMT2A (0.59) P2RX7L3MBTL1KCNH2GRM2ALDH1A1
SCHEMBL11050060 0.69 P2RX7 (0.40) P2RX7L3MBTL1GRM2ALDH1A1MAPK1
SCHEMBL11049173 0.68 HDAC6 (0.45) L3MBTL1ALDH1A1KDM4ELMNAKMT2A
SCHEMBL11044711 0.68 P2RX7 (0.49) P2RX7MAPK1PTGS2
SCHEMBL11043677 0.65 ALDH1A1 (0.52) P2RX7L3MBTL1ALDH1A1LMNATSHR
SCHEMBL23607688 0.65 KMT2A (0.51) P2RX7L3MBTL1KCNH2GRM2HTT

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-4477664-A CARCINOSTATIC ACTIVITY, LOW TOXICITY, INTERMEDIATES TOYAMA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4477666-A ANTICARCINO GENIC AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1984-10-16 US disclosed
US-4460774-A ANTICARCINOGENIC AGENTS TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1984-07-17 US disclosed
US-4448963-A ANTICARCINOGENS TOYAMA CHEMICAL CO., LTD. (JP) 1984-05-15 US disclosed
US-4436921-A CARCINOSTATIC ACTIVITY TOYAMA CHEMICAL CO., LTD. (JP) 1984-03-13 US disclosed