SCHEMBL4429962

SCHEMBL4429962

Cc1cc[c]c(-c2cc(C)ccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.36
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31
ELANE P08246 1/20 0.31
S1PR4 O95977 2/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL4439316 0.89 ALKBH3 (0.34) ALKBH3S1PR4
SCHEMBL4607250 0.89 S1PR4 (0.36) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL4427280 0.86 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL7839044 0.83 PLA2G7 (0.40) MEN1USP2ALDH1A1POLBMAPT
SCHEMBL4429675 0.82 PDE2A (0.39) ALDH1A1L3MBTL1LMNACYP1A2
SCHEMBL10944556 0.81 ELANE (0.36) ALKBH3MEN1USP2ALDH1A1POLB
SCHEMBL4553496 0.80 ALDH1A1 (0.39) MEN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL8527936 0.78 HSD11B1 (0.43) MEN1USP2ALDH1A1POLBMAPT
SCHEMBL4432034 0.77 MAOB (0.36) ALDH1A1MAPK1MAOAMAOBELANE
SCHEMBL7049757 0.76 ACHE (0.38) ALDH1A1MAPK1LMNACYP1A2CYP2A6

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
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed