SCHEMBL1101360

SCHEMBL1101360

CC(NOc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
CASR P41180 2/20 0.44
SLC6A4 P31645 2/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL11581778 0.79 CA4 (0.48) ALDH1A1CASRCYP3A4LMNACYP2D6
SCHEMBL14353316 0.77 MTOR (0.44) ALDH1A1MEN1KMT2ASLC6A4CYP3A4
SCHEMBL9055270 0.77 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1CASR
SCHEMBL16095568 0.72 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ANPSR1CASR
SCHEMBL16096889 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPSR1CASR
SCHEMBL27614901 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPSR1CASR
SCHEMBL2890806 0.71 CASR (0.65) ALDH1A1CASRHTR1ASLC6A2OPRM1
SCHEMBL17186621 0.71 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACASRLMNA
SCHEMBL17193735 0.71 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACASRLMNA
SCHEMBL17186493 0.71 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACASRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240032539-A1 CONCENTRATED FUNGICIDE COMPOSITION OF PROTHIOCONAZOLE AND PICOXYTROBIN OURO FINO QUÍMICA S/A (BR) 2024-02-01 US disclosed
US-8153561-B2 Limonene-containing herbicide compositions, herbicide concentrate formulations and methods for making and using same for organic production CUTTING EDGE FORMULATIONS, INC. (US) 2012-04-10 US disclosed
US-20070092544-A1 Natural insect repellant INT'L ALLY, INC. 2007-04-26 US disclosed
US-20070049496-A1 LIMONENE-CONTAINING HERBICIDE COMPOSITIONS, HERBICIDE CONCENTRATE FORMULATIONS AND METHODS FOR MAKING AND USING SAME FOR ORGANIC PRODUCTION AVENGER PRODUCTS, LLC 2007-03-01 US disclosed