SCHEMBL11655245

SCHEMBL11655245

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ NOTUM Q6P988 3/20 0.36
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ RAPGEF3 O95398 1/20 0.35
▸ KMO O15229 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ XPO1 O14980 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ KDR P35968 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ MRGPRX4 Q96LA9 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
SCHEMBL11655222 0.89 HTR3E (0.48) KMT2ANOTUMHTR3EHTR3BHTR3A
SCHEMBL11658191 0.83 KMT2A (0.65) KMT2AHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11661831 0.81 KMT2A (0.63) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11658396 0.80 KMT2A (0.49) KMT2AHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL11658393 0.80 KMT2A (0.40) KMT2AKDM4EALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL11661503 0.80 SLC1A5 (0.42) KMT2AKMOMAPTPDE2ASCN9A
SCHEMBL11659361 0.79 MAPT (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11654445 0.77 KMT2A (0.49) KMT2AGPBAR1KDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL11654418 0.77 MAPT (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11658680 0.77 USP2 (0.44) KMT2AHTR3EHTR3BHTR3AHTR3D

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