SCHEMBL7614101

SCHEMBL7614101

CCC(C(=O)O)c1cccnc1OP(=O)(O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MAPK8 P45983 1/20 0.36
KMT2A Q03164 1/20 0.35
CETP P11597 3/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
FOLH1 Q04609 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
SCHEMBL7606743 0.91 L3MBTL1 (0.40) L3MBTL1MAPK8KMT2ACETPFOLH1
SCHEMBL7605189 0.86 L3MBTL1 (0.40) L3MBTL1MAPK8KMT2AALDH1A1FOLH1
SCHEMBL7604654 0.77 HTT (0.37) L3MBTL1KMT2AGAAALDH1A1LMNA
SCHEMBL7610496 0.75 CETP (0.35) L3MBTL1KMT2ACETPALDH1A1LMNA
SCHEMBL7605064 0.74 KDM4E (0.46) L3MBTL1MAPK8ALDH1A1
SCHEMBL7607672 0.72 LMNA (0.36) L3MBTL1KMT2AGAAALDH1A1LMNA
SCHEMBL6178335 0.70 P2RX7 (0.42) ALDH1A1LMNASMN1; SMN2
SCHEMBL7610494 0.69 GAA (0.38) KMT2AGAAALDH1A1LMNASMN1; SMN2
SCHEMBL7611156 0.69 HTT (0.39) KMT2ACETPGAAALDH1A1LMNA
SCHEMBL7604621 0.69 MEN1 (0.39) KMT2ACETPGAAALDH1A1SMN1; SMN2

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 10 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-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP disclosed
US-5977090-A Pharmaceutical compositions and methods of treating compulsive disorders using NAALADase inhibitors GUILFORD PHARMACEUTICALS INC. (US) 1999-11-02 US disclosed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed