SCHEMBL7744894

SCHEMBL7744894

COC=C(C(=O)OC)c1ccccc1C(C)ON=CC(=NOC)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.30
ATM Q13315 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
SCHEMBL7863552 0.96 ALDH1A1 (0.34) MAOAMAOBRAB9AKDM4EALDH1A1
SCHEMBL7499630 0.92 MAOB (0.31) MAOAMAOB
SCHEMBL8443188 0.88 PTGER4 (0.33) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8723874 0.87 KDM4E (0.32) RAB9AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7744876 0.86 MAPT (0.35) RAB9AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8440483 0.85 KDM4E (0.32) KDM4ESMN1; SMN2
SCHEMBL7498420 0.84 SMN1; SMN2 (0.36) MAOAMAOBRAB9AKDM4EMAPT
SCHEMBL7868787 0.83 SMN1; SMN2 (0.32) RAB9AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL7495603 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8725170 0.79

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