SCHEMBL16622508

SCHEMBL16622508

CC(I)NC(=O)c1cc(Br)cc(Br)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.35
DHODH Q02127 2/20 0.35
KLKB1 P03952 2/20 0.34
CARM1 Q86X55 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
KCNT1 Q5JUK3 1/20 0.33

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
SCHEMBL10028773 0.94 DHODH (0.37) PDE4BDHODHKLKB1CARM1TRPV1
SCHEMBL16639211 0.93 DHODH (0.35) PDE4BDHODHKLKB1CARM1TRPV1
SCHEMBL10028769 0.89 CARM1 (0.39) PDE4BDHODHKLKB1CARM1TRPV1
SCHEMBL16639218 0.89 DHODH (0.39) DHODHMEN1KMT2A
SCHEMBL16622527 0.89 DHODH (0.34) DHODHMEN1KMT2A
SCHEMBL10028771 0.88 KDM4E (0.37) PDE4BDHODHKLKB1CARM1TRPV1
SCHEMBL952511 0.88 KLKB1 (0.38) PDE4BDHODHKLKB1CARM1KDM4E
SCHEMBL10028770 0.87 CHIA (0.38) PDE4BDHODHKLKB1CARM1TRPV1
SCHEMBL12911599 0.87 PDE4B (0.37) PDE4BDHODHKLKB1CARM1TRPV1
SCHEMBL31060038 0.87 F10 (0.37) PDE4BDHODHKLKB1CARM1KDM4E

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
EP-1699290-B2 INSECTICIDAL ACTIVE SUBSTANCE COMBINATIONS CONTAINING ANTHRANILIC ACID AMIDES AND AT LEAST ONE OTHER INSECTICIDE BAYER CROPSCIENCE AG (DE) 2015-04-15 EP disclosed
EP-1691608-B2 ACTIVE SUBSTANCE COMBINATION HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2015-04-08 EP disclosed