SCHEMBL4634027

SCHEMBL4634027

O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ EPHX2 P34913 1/20 0.45
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ PIN1 Q13526 1/20 0.41
▸ TLR2 O60603 1/20 0.40

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
SCHEMBL14446419 0.87 KMT2A (0.52) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL12761610 0.85 KMT2A (0.59) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL12256997 0.84 KMT2A (0.58) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL7743458 0.83 KMT2A (0.57) KMT2AEPHX2CASP3TLR2
SCHEMBL422645 0.83 KMT2A (0.62) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL31652454 0.82 KMT2A (0.58) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL30106235 0.82 KMT2A (0.58) KMT2AEPHX2MDM4TP53CASP3
SCHEMBL14008332 0.82 KMT2A (0.64) KMT2AEPHX2CASP3TLR2
SCHEMBL29904323 0.82 KMT2A (0.64) KMT2AEPHX2CASP3
SCHEMBL27410574 0.82 KMT2A (0.64) KMT2AEPHX2CASP3

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-1928890-B1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC (CA) 2013-04-03 — — EP disclosed
US-8404664-B2 Phosphonated Rifamycins and uses thereof for the prevention and treatment of bone and joint infections TARGANTA THERAPEUTICS, INC. (CA) 2013-03-26 — — US disclosed
EP-1928890-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2008-06-11 — — EP disclosed
WO-2007096703-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-08-30 — — WO disclosed
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