SCHEMBL4598425

SCHEMBL4598425

C=CCNc1[c]ccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MITF O75030 1/20 0.35
NSD2 O96028 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL4599615 0.79 LMNA (0.36) HPGDALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL4600271 0.79 LMNA (0.42) HPGDCYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL4600236 0.76 EGFR (0.34) POLBALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6002123 0.73 SMN1; SMN2 (0.39) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL4599766 0.72 MAPT (0.41) POLBALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL168718 0.72 ALDH1A1 (0.38) HPGDCYP1A2ALDH1A1SMN1; SMN2LMNA
SCHEMBL4295987 0.70 MAPT (0.48) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL4603282 0.70 PKM (0.42) HPGDSMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4598887 0.69 CA12 (0.35) HPGDALDH1A1KDM4EGAACA12
SCHEMBL197458 0.69

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
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed