SCHEMBL9218441

SCHEMBL9218441

Cc1ccc(C(=O)n2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
PTGS2 P35354 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GLA P06280 2/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL9218224 0.94 MEN1 (0.37) MGLLALDH1A1GAAHPGDKDM4E
SCHEMBL9215790 0.90 MGLL (0.42) MGLLALDH1A1GAAHPGDKDM4E
SCHEMBL9218216 0.90 GRIA4 (0.40) MGLLPTGS2MEN1KMT2AGRIA2
SCHEMBL8404970 0.89 ABCB1 (0.37) MGLLALDH1A1GAAHPGDKDM4E
SCHEMBL9214976 0.86 PGR (0.38) MGLLALDH1A1GAAHPGDKDM4E
SCHEMBL9209300 0.86 MEN1 (0.42) MGLLALDH1A1GAAHPGDNPSR1
SCHEMBL9423380 0.85 S1PR3 (0.34) ALDH1A1GAAHPGDKDM4ELMNA
SCHEMBL9423599 0.84 KDM4E (0.38) ALDH1A1GAAHPGDKDM4ERXFP1
SCHEMBL9423419 0.84 ALDH1A1 (0.38) MGLLALDH1A1GAAHPGDKDM4E
SCHEMBL9209841 0.83 MGLL (0.38) MGLLALDH1A1GAAHPGDKDM4E

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-0484614-B1 N-acylated arylpyrroles useful as insecticidal, acaricidal, nematicidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1995-05-24 EP claimed
US-5328928-A Miticides, nematocides, fungicides or molluscicides AMERICAN CYANAMID COMPANY (US) 1994-07-12 US claimed
US-5328928-A Miticides, nematocides, fungicides or molluscicides AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed