SCHEMBL5381553

SCHEMBL5381553

O=Cc1ccc2cccc(F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2A6 P11509 3/20 0.41
▸ KIF11 P52732 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ HPRT1 P00492 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ IP6K1 Q92551 1/20 0.36
▸ PTGS2 P35354 1/20 0.36

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
SCHEMBL29953436 1.00 PTGER4 (0.50) PTGER4ALDH1A1SMN1; SMN2CYP2A6KIF11
SCHEMBL29952933 0.85 PTGER4 (0.43) PTGER4ALDH1A1SMN1; SMN2CYP2A6KIF11
SCHEMBL4108450 0.85 PTGER4 (0.43) PTGER4ALDH1A1SMN1; SMN2CYP2A6KIF11
SCHEMBL9883875 0.78 KIF11 (0.42) ALDH1A1CYP2A6KIF11KDM4ENPC1
SCHEMBL28187823 0.78 ALDH1A1 (0.47) PTGER4ALDH1A1SMN1; SMN2CYP2A6KIF11
SCHEMBL5617799 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6KIF11KDM4ENPC1
SCHEMBL476028 0.77 CTDSP1 (0.53) ALDH1A1CYP2A6KIF11KDM4ENPC1
SCHEMBL29957506 0.77 CTDSP1 (0.53) ALDH1A1CYP2A6KIF11KDM4ENPC1
SCHEMBL4102305 0.77 ALDH1A1 (0.50) PTGER4ALDH1A1SMN1; SMN2CYP2A6KIF11
SCHEMBL3257311 0.77 CYP2A6 (0.57) ALDH1A1CYP2A6KIF11NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 — — US disclosed
CN-1673219-A Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INC (US) 2005-09-28 — — CN disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 — — US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 — — US disclosed
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