SCHEMBL9703822

SCHEMBL9703822

N=C1c2c(cc(Cl)c(Cl)c2Cl)C(=O)N1Cl

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL458385 0.82 CYP3A4 (0.35) CYP3A4ALDH1A1
SCHEMBL9360881 0.82 CYP3A4 (0.35) CYP3A4ALDH1A1
Ethylene SCHEMBL16860553 0.79 CYP3A4 (0.32) CYP3A4ALDH1A1
SCHEMBL9485161 0.69 ALDH1A1 (0.40) CYP3A4ALDH1A1
SCHEMBL6846394 0.66 CYP3A4 (0.30) CYP3A4
SCHEMBL10724958 0.61 CES1 (0.47) ALDH1A1
SCHEMBL438003 0.61 CYP3A4 (0.56) CYP3A4ALDH1A1
SCHEMBL29431840 0.61 CYP3A4 (0.56) CYP3A4ALDH1A1
SCHEMBL18663480 0.60 CYP3A4 (0.36) CYP3A4ALDH1A1
SCHEMBL3684157 0.60 PPOX (0.47) CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4751314-A REACTING TETRACHLORO ORTHOPHTHALODINITRILE WITH GROUP 1A HYDROXIDE BASF AKTIENGESELLSCHAFT (DE) 1988-06-14 US claimed
EP-0218980-B1 PROCESS FOR THE PREPARATION OF TETRACHLOR-3-IMINO-ISOINDOLIN-1-ONE BASF Aktiengesellschaft (DE) 1992-07-29 EP disclosed
EP-0218980-B1 PROCESS FOR THE PREPARATION OF TETRACHLOR-3-IMINO-ISOINDOLIN-1-ONE BASF Aktiengesellschaft (DE) 1992-07-29 EP disclosed
US-4785114-A PRINTING INKS, COLORFASTNESS, HEAT RESISTANT DYES BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
US-4751314-A REACTING TETRACHLORO ORTHOPHTHALODINITRILE WITH GROUP 1A HYDROXIDE BASF AKTIENGESELLSCHAFT (DE) 1988-06-14 US disclosed
US-4751314-A REACTING TETRACHLORO ORTHOPHTHALODINITRILE WITH GROUP 1A HYDROXIDE BASF AKTIENGESELLSCHAFT (DE) 1988-06-14 US disclosed
EP-0218980-A2 Process for the preparation of tetrachlor-3-imino-isoindolin-1-one BASF Aktiengesellschaft (DE) 1987-04-22 EP disclosed
EP-0218980-A2 Process for the preparation of tetrachlor-3-imino-isoindolin-1-one BASF Aktiengesellschaft (DE) 1987-04-22 EP disclosed