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SCHEMBL28103192

SCHEMBL28103192

Cc1nn(C)c(Nc2c(Br)cccc2CN)c1-c1ccc(F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ NMT1 P30419 1/20 0.31

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
SCHEMBL28103194 0.93 CYP1A2 (0.32) CYP1A2KDM4EGALR3MAPTHTT
SCHEMBL28135752 0.93 SLC34A1 (0.34) CYP1A2MAPTDPP4
SCHEMBL28952355 0.91 HSD11B1 (0.35) CYP1A2DPP4
SCHEMBL28103193 0.91 P2RX7 (0.35) CYP1A2KDM4EGALR3MAPTHTT
SCHEMBL14956153 0.86 MAPT (0.35) KDM4EGALR3MAPTHTTSMN1; SMN2
SCHEMBL29367616 0.86 MAPT (0.35) KDM4EGALR3MAPTHTTSMN1; SMN2
SCHEMBL175883 0.86 MAPT (0.35) KDM4EGALR3MAPTHTTSMN1; SMN2
SCHEMBL29367800 0.84 MAPT (0.36) KDM4EGALR3MAPTHTTSMN1; SMN2
SCHEMBL15155523 0.84 MAPT (0.36) KDM4EGALR3MAPTHTTSMN1; SMN2
SCHEMBL28135750 0.83 SLC34A1 (0.36) CYP1A2MAPTDPP4

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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 — — CN claimed
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 — — CN disclosed
CN-106008299-A Intermediate for preparing fungicidal pyrazoles 杜邦公司 2016-10-12 — — CN disclosed