SCHEMBL6773550

SCHEMBL6773550

O=C(O)CCc1cccc(NS(=O)(=O)c2cccc(-c3ccc(CNCCc4c[nH]cn4)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
PFKFB3 Q16875 1/20 0.42
FABP1 P07148 1/20 0.40
HTR6 P50406 5/20 0.40
FFAR4 Q5NUL3 2/20 0.39
FABP4 P15090 1/20 0.39
PFKFB4 Q16877 1/20 0.38
SYK P43405 1/20 0.38
NMT1 P30419 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL6773547 0.85 PFKFB3 (0.40) PFKFB3PFKFB4NMT1ITGB3ITGAV
SCHEMBL6773554 0.78 SLC2A1 (0.38) NMT1ITGB3ITGAVSMN1; SMN2HDAC1
SCHEMBL6180441 0.78 ITGB3 (0.56) ITGB3ITGAV
SCHEMBL3772416 0.70 HDAC1 (0.72) HDAC1
SCHEMBL4605920 0.70 GAA (0.53) TDP1
SCHEMBL9997105 0.69 PFKFB3 (0.61) FFAR1PFKFB3FFAR4POLBTDP1
SCHEMBL14532384 0.67 GHSR (0.57) HTR6FABP4ITGB3ITGAVSMN1; SMN2
SCHEMBL30315220 0.67 GHSR (0.57) HTR6FABP4ITGB3ITGAVSMN1; SMN2
SCHEMBL8371139 0.66 ITGB3 (0.57) HTR6FABP4POLBTDP1ITGB3
SCHEMBL14532378 0.66 ITGB3 (0.57) HTR6FABP4POLBTDP1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677360-B2 TREATMENT AND PROPHYLAXIS OF CANCER, ARTERIOSCLEROSIS, RESTENOSIS, OSTEOPOROSIS AND EYE DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed