SCHEMBL11655222

SCHEMBL11655222

CN(C=Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.48
▸ HTR3B O95264 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ HTR3D Q70Z44 1/20 0.48
▸ HTR3C Q8WXA8 1/20 0.48
▸ KMT2A Q03164 4/20 0.46
▸ KDR P35968 1/20 0.41
▸ PDK1 Q15118 1/20 0.38
▸ NOTUM Q6P988 3/20 0.38
▸ NPFFR2 Q9Y5X5 3/20 0.37
▸ NPFFR1 Q9GZQ6 2/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ PYCR1 P32322 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SLC6A9 P48067 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL11655245 0.89 KMT2A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11658191 0.83 KMT2A (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11661831 0.81 KMT2A (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11654445 0.80 KMT2A (0.49) KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL11658393 0.80 KMT2A (0.40) KMT2AMEN1MAPT
SCHEMBL11659361 0.79 MAPT (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11658396 0.77 KMT2A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11654418 0.77 MAPT (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL11661503 0.77 SLC1A5 (0.42) KMT2ASCN9AMAPT
SCHEMBL11658680 0.77 USP2 (0.44) 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
Send feedback