SCHEMBL9649758

SCHEMBL9649758

Brc1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 8/20 0.66
▸ ERBB2 P04626 8/20 0.66
▸ L3MBTL1 Q9Y468 4/20 0.56
▸ ATM Q13315 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GLA P06280 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ TLR9 Q9NR96 1/20 0.53
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52

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
SCHEMBL9649368 0.82 MAOB (0.69) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL9649398 0.82 L3MBTL1 (0.73) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL27955195 0.80 EGFR (0.71) EGFRERBB2MEN1KMT2AGAA
SCHEMBL9356235 0.79 EGFR (1.00) EGFRERBB2MMP2MMP9ERBB3
SCHEMBL23052404 0.79 MEN1 (0.73) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL13680425 0.79 EGFR (0.75) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL395608 0.79 MEN1 (0.73) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL10361833 0.76 MEN1 (0.69) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL13680429 0.76 EGFR (0.71) EGFRERBB2L3MBTL1ATMMEN1
SCHEMBL2687295 0.76 EGFR (0.78) EGFRERBB2L3MBTL1ATMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231835-B1 ELECTRO PHOTOGRAPHIC RECORDING MATERIAL HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 — — EP disclosed
US-4762760-A FILM ON SUBSTRATE, ADHESION, FLEXIBILITY HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 — — US disclosed
EP-0231835-A2 Electro photographic recording material HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-12 — — EP disclosed
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