SCHEMBL11658191

SCHEMBL11658191

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.65
▸ HTR3E A5X5Y0 2/20 0.40
▸ HTR3B O95264 2/20 0.40
▸ HTR3A P46098 2/20 0.40
▸ HTR3D Q70Z44 2/20 0.40
▸ HTR3C Q8WXA8 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ APEX1 P27695 1/20 0.38
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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 SCHEMBL11661831 0.98 KMT2A (0.63) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11654445 0.88 KMT2A (0.49) KMT2ATDP1APEX1MAOBMAPT
SCHEMBL11658396 0.88 KMT2A (0.49) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11653881 0.84 KMT2A (0.45) KMT2AMAPTMEN1SLC6A4
SCHEMBL11658283 0.84 KMT2A (0.49) KMT2AMAPTMEN1POLB
SCHEMBL11658757 0.83 KMT2A (0.42) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11655222 0.83 HTR3E (0.48) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11655245 0.83 KMT2A (0.44) KMT2AHTR3EHTR3BHTR3AHTR3D
SCHEMBL11655212 0.81 SMN1; SMN2 (0.41) KMT2ATDP1MAPTMEN1TSHR
SCHEMBL11656623 0.81 KMT2A (0.42) KMT2AMAPTMEN1L3MBTL1

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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