SCHEMBL7778321

SCHEMBL7778321

CCOCn1c(-c2ccc(Cl)cc2)c(C#N)c(Sc2ccc(Cl)c(Cl)c2)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.35
AKR1B1 P15121 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CRHBP P24387 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CRHR2 Q13324 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
SCHEMBL7784740 0.92 PTGDR2 (0.36) PTGDR2AKR1B1RXFP1KDM4EMEN1
SCHEMBL9015141 0.84 RXFP1 (0.35) RXFP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL7782990 0.80 AKR1B1 (0.32) PTGDR2AKR1B1RXFP1KDM4EMEN1
SCHEMBL5812558 0.80 RXFP1 (0.36) RXFP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL5812554 0.79 CTSS (0.34) RXFP1MEN1LMNAHPGDKMT2A
SCHEMBL9015078 0.79 KDM4E (0.37) RXFP1KDM4EMEN1ALDH1A1LMNA
Chlorfenapyr SCHEMBL40337 0.78 RXFP1 (0.35) RXFP1KDM4EMEN1ALDH1A1LMNA
SCHEMBL5819704 0.77 CTSS (0.33) RXFP1MEN1HPGDKMT2A
SCHEMBL7777931 0.77 MAOA (0.38) PTGDR2AKR1B1KDM4EMEN1ALDH1A1
SCHEMBL7784930 0.77

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-0801058-B1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID CO (US) 2001-10-10 EP disclosed
US-5817691-A Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents AMERICAN CYANAMID COMPANY (US) 1998-10-06 US disclosed
EP-0801058-A1 Arylthio, -sulfinyl and -sulfonyl pyrrole insecticidal agents American Cyanamid Company (US) 1997-10-15 EP disclosed