SCHEMBL7744887

SCHEMBL7744887

COC=C(C(=O)OC)c1ccccc1CON=C(C)C(=NOC)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7744885 1.00 HIF1A (0.41) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7875521 0.95 HIF1A (0.42) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7875524 0.95 HIF1A (0.42) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7469587 0.93 HIF1A (0.35) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL7469583 0.93 HIF1A (0.35) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL8723871 0.88 HIF1A (0.35) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL8723867 0.88 HIF1A (0.35) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL828229 0.88 HIF1A (0.47) HIF1ASMN1; SMN2KDM4E
SCHEMBL828228 0.88 HIF1A (0.47) HIF1ASMN1; SMN2KDM4E
SCHEMBL7742903 0.88 HIF1A (0.45) HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420423-B1 PESTICIDE FOR USE ON CEREALS, BEETS, FRUITS, BERRIES, AND BEANS; KILLS MITES, INSECTS, TERMITES, LICE, FLEAS, AND FUNGUS; TOLERATED WELL BE ANIMALS, PLANTS, AND FISH BAYER AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-5985921-A OXIDATION AND HYDROGENATION OF COMPOUNDS TO FORM INSECTICIDES AS AGROCHEMICALS NOVARTIS CORPORATION (US) 1999-11-16 US disclosed