SCHEMBL14273139

SCHEMBL14273139

O=C(O)CCN1CCN(c2ccc(N3CCN(CCC(=O)O)C3=S)cc2)C1=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ APEX1 P27695 1/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ HDAC1 Q13547 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35

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
SCHEMBL11227178 0.82 KDM4E (0.44) S1PR1KDM4ETDP1MEN1POLB
SCHEMBL12209953 0.75 S1PR1 (0.62) S1PR1KDM4ETDP1MEN1POLB
SCHEMBL11226068 0.75 KDM4E (0.40) S1PR1KDM4ETDP1MEN1POLB
SCHEMBL19817105 0.71 ATM (0.43) KDM4ETDP1MEN1MAPTKMT2A
SCHEMBL7274054 0.70 S1PR1 (0.62) S1PR1HDAC1DRD2DRD3
SCHEMBL7275516 0.69 S1PR1 (0.55) S1PR1HDAC1DRD2DRD3
SCHEMBL7280721 0.68 S1PR1 (0.54) S1PR1HDAC1ITGB3ITGA2B
SCHEMBL7275272 0.67 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL11774454 0.66 KMT2A (0.51) KDM4ETDP1MEN1POLBMAPT
SCHEMBL11517697 0.65 APEX1 (0.42) KDM4ETDP1MEN1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 — — US disclosed
US-7335466-B2 Silver salt photothermographic dry imaging material, image recording method and image forming method for the same KONICA MINOLTA HOLDINGS, INC. (JP) 2008-02-26 — — US disclosed
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