SCHEMBL11658680

SCHEMBL11658680

CN(C=Nc1cccc(C(F)(F)F)c1)C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ HTR3D Q70Z44 1/20 0.44
▸ HTR3C Q8WXA8 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ NOS3 P29474 2/20 0.40
▸ NOS1 P29475 2/20 0.40

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
Hydrochloric Acid SCHEMBL11658667 0.99 USP2 (0.44) USP2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11659361 0.82 MAPT (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11660469 0.82 MEN1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11654418 0.81 MAPT (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11660771 0.79 MPI (0.39) ALDH1A1MAPTHTTGAALMNA
Hydrochloric Acid SCHEMBL11655776 0.77 LMNA (0.33) MAPTLMNAMEN1KMT2A
SCHEMBL11657715 0.77 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2GAALMNA
Hydrochloric Acid SCHEMBL11651864 0.77 CYP3A4 (0.41) ALDH1A1MAPTSMN1; SMN2TP53GAA
SCHEMBL11655245 0.77 KMT2A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11655222 0.77 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C

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-4073636-A Azolylamidine compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1978-02-14 — — US disclosed
US-3993469-A Azolylamidine compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 — — US disclosed
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