SCHEMBL9473152

SCHEMBL9473152

c1ccc(C2=NN(c3ccccc3)CC2c2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.51
ERBB2 P04626 8/20 0.51
KDM4E B2RXH2 3/20 0.44
GLA P06280 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ERBB3 P21860 1/20 0.41
KDR P35968 1/20 0.41
PTK2 Q05397 1/20 0.41
CES2 O00748 1/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
KDM1A O60341 2/20 0.38

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
SCHEMBL2864527 0.77 KDM1A (0.53) KDM4EGLAMAPTALDH1A1GAA
SCHEMBL11050112 0.71 ALDH1A1 (0.46) EGFRERBB2KDM4EGLAMAPT
SCHEMBL11166383 0.70 KDM1A (0.53) KDM4EGLAMAPTALDH1A1GAA
SCHEMBL31121011 0.68 EGFR (0.46) EGFRERBB2ERBB3KDRPTK2
SCHEMBL9356235 0.68 EGFR (1.00) EGFRERBB2ERBB3KDRPTK2
SCHEMBL24041241 0.67 KDM1A (0.46) EGFRERBB2KDM4EMAPTALDH1A1
SCHEMBL11124065 0.66 KDM1A (0.46) KDM4EGLAMAPTALDH1A1GAA
SCHEMBL22331106 0.66 L3MBTL1 (0.42) KDM4EGLAMAPTALDH1A1GAA
SCHEMBL22331104 0.63 MC4R (0.45) ALDH1A1HPGDNPSR1
SCHEMBL11153238 0.63 L3MBTL1 (0.40) KDM4EGLAMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5221595-A Printing plates, photoresist; high photosensitivity, acid resistance HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
US-4250053-A WITH FLUORESCENT COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-02-10 US disclosed