SCHEMBL7604616

SCHEMBL7604616

CCC(OP(=O)(O)Cc1ccccc1)(C(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.37
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36

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
SCHEMBL7604574 0.91 ESR1 (0.38) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL7609953 0.84 SLC6A2 (0.40) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL7611154 0.81 ACP3 (0.42) LMNAKDM4EL3MBTL1
SCHEMBL8426026 0.81 SLC6A2 (0.38) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL5053139 0.78 ADAM17 (0.40) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL7603971 0.76 SLC6A2 (0.39) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL7604497 0.76 GABRP (0.39) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL7609416 0.74 SLC6A2 (0.41) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL7925798 0.74 KDM4E (0.40) SLC6A2FNTAFNTBKMT2AMEN1
SCHEMBL7612089 0.74 GABRP (0.41) SLC6A2FNTAFNTBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
US-6046180-A NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 2000-04-04 US disclosed
EP-0936914-A4 1999-08-25 EP disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed