SCHEMBL9528549

SCHEMBL9528549

CSC(=NC1CCCCCCC1)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
GRM4 Q14833 7/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.37
CXCR4 P61073 1/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL9528317 1.00 KMT2A (0.45) KMT2AMEN1TSHRGRM4ALDH1A1
SCHEMBL10453739 1.00 KMT2A (0.45) KMT2AMEN1TSHRGRM4ALDH1A1
SCHEMBL10773303 0.79 MAP2K1 (0.47) KMT2AMEN1GRM4ALDH1A1MAPT
SCHEMBL10453341 0.78 MEN1 (0.41) KMT2AMEN1GRM4ALDH1A1MAPT
SCHEMBL10453439 0.77 IDO1 (0.45) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL9529344 0.74 EPHX1 (0.50) KMT2AMEN1TSHRCXCR4MAPT
SCHEMBL10453855 0.74 EPHX1 (0.50) KMT2AMEN1TSHRCXCR4MAPT
SCHEMBL10453589 0.74 EPHX1 (0.50) KMT2AMEN1TSHRCXCR4MAPT
SCHEMBL9528819 0.74 EPHX1 (0.50) KMT2AMEN1TSHRCXCR4MAPT
SCHEMBL9533078 0.74 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTNPSR1

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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
US-4921939-A GUANIDINE AND AMIDINE COMPOUNDS CONTAINING ACID GROUPS UNIVERSITE CLAUDE BERNARD -LYON 1 (FR) 1990-05-01 US disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed