SCHEMBL9826461

SCHEMBL9826461

NCCCCc1cc2ccccc2o1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.65
AGXT P21549 1/20 0.54
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
DRD1 P21728 2/20 0.46
HTR2B P41595 4/20 0.46
HTR1A P08908 1/20 0.43
MAOA P21397 1/20 0.42
DRD5 P21918 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 1/20 0.42
FLT3 P36888 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
GLS O94925 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7796043 0.98 LOXL2 (0.62) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL5776752 0.95 LOXL2 (0.67) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL140395 0.87 LOXL2 (0.71) LOXL2AGXTDRD2DRD3DRD1
Iodide SCHEMBL28674174 0.85 LOXL2 (0.69) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL2090531 0.82 LOXL2 (0.55) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL4432584 0.82 LOXL2 (0.55) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL18255847 0.82 LOXL2 (0.55) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL252581 0.82 MAPT (0.60) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL8688187 0.81 MAPT (0.63) LOXL2AGXTDRD2DRD3DRD1
SCHEMBL2088773 0.81 LOXL2 (0.53) LOXL2AGXTDRD2DRD3DRD1

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
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed