SCHEMBL22108412

SCHEMBL22108412

CN(CC(F)(F)F)C(=O)c1ccc[nH]c1=N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ PLAT P00750 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ CXCR1 P25024 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL22108413 0.77 SMN1; SMN2 (0.33) TACR1RIPK1PLATCXCR1CXCR2
SCHEMBL14688342 0.74 KMT2A (0.59) TACR1RIPK1KMT2AHPGDSMN1; SMN2
SCHEMBL14904750 0.70 MMP2 (0.47) TACR1RIPK1KMT2AHPGDCXCR1
SCHEMBL22090336 0.69 NAPRT (0.49) TACR1RIPK1NAPRT
SCHEMBL395688 0.68 MLYCD (0.51) TACR1RIPK1KMT2AHPGD
SCHEMBL18556271 0.68 CXCR2 (0.48) CXCR1CXCR2
SCHEMBL14904749 0.66 P2RX1 (0.50) KMT2AHPGDCXCR1CXCR2SMN1; SMN2
SCHEMBL11628825 0.66 PDPK1 (0.47) HPGDNAPRT
SCHEMBL15401530 0.64 TACR1 (0.43) TACR1RIPK1HPGDNAPRTSMN1; SMN2
SCHEMBL16994748 0.64 MMP13 (0.44) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020120697-A1 PESTICIDALLY-ACTIVE CYANAMIDE HETEROCYCLIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-18 — — WO disclosed
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