SCHEMBL8308328

SCHEMBL8308328

Clc1ccc(N2CNC[N]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALOX5 P09917 2/20 0.38
LTA4H P09960 2/20 0.36
NOTUM Q6P988 5/20 0.33
F2 P00734 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CETP P11597 1/20 0.33
GFER P55789 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
APOBEC3G Q9HC16 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
SCHEMBL11071665 0.63 HTR3E (0.41) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL981604 0.61 TP53 (0.42) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL28999664 0.60 TP53 (0.41) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL894618 0.60 ADRB1 (1.00) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28707761 0.59 MGLL (0.39) ALOX5MEN1KMT2AALDH1A1MAPT
SCHEMBL17935877 0.59 MAPT (0.42) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL708482 0.58 ADRB1 (0.96) HTR3EHTR3BADRB1HTR3AHTR3D
Hydrochloric Acid SCHEMBL314621 0.58 ADRB1 (0.96) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29998630 0.58 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL870704 0.58 HTR3E (0.70) HTR3EHTR3BADRB1HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004903-A 2-Anylocyclohexanediones having improved herbicidal properties BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
EP-0898570-A1 HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-03-03 EP disclosed
WO-1997038996-A1 HERBICIDAL HETEROCYCLICALLY SUBSTITUTED BENZOYLISOTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO disclosed