SCHEMBL27741002

SCHEMBL27741002

NCc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.65
▸ ERBB2 P04626 6/20 0.65
▸ CA1 P00915 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ ATM Q13315 2/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ S1PR2 O95136 1/20 0.54
▸ S1PR4 O95977 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 1/20 0.54

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
SCHEMBL2687295 0.90 EGFR (0.78) EGFRERBB2CA1CA2MEN1
SCHEMBL27778197 0.89 MEN1 (0.62) EGFRERBB2CA1CA2MEN1
SCHEMBL19471298 0.89 EGFR (0.67) EGFRERBB2CA1CA2MEN1
SCHEMBL31429970 0.87 EGFR (0.74) EGFRERBB2CA1CA2MEN1
SCHEMBL27955200 0.84 MEN1 (0.77) EGFRERBB2CA1CA2MEN1
SCHEMBL27799194 0.83 CA1 (0.67) EGFRCA1CA2MEN1KMT2A
SCHEMBL23052315 0.81 EGFR (0.69) EGFRERBB2CA1CA2MEN1
SCHEMBL23052047 0.81 EGFR (0.69) EGFRERBB2CA1CA2MEN1
SCHEMBL13680429 0.80 EGFR (0.71) EGFRERBB2CA1CA2MEN1
SCHEMBL13680425 0.80 EGFR (0.75) EGFRERBB2CA1CA2MEN1

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
CN-101429162-A Method for producing 1-phenyl-3,5-di-substituted aryl-2-pyrazoline HUAIYIN TEACHERS COLLEGE (CN) 2009-05-13 — — CN disclosed
Send feedback