SCHEMBL4633674

SCHEMBL4633674

NCCCC(=O)NC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
BLM P54132 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
GABBR2 O75899 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
GABBR1 Q9UBS5 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
HDAC3 O15379 1/20 0.38
THRB P10828 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRR2 P28476 1/20 0.38

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
SCHEMBL4635288 0.88 ALDH1A1 (0.37) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL18825589 0.82 CAMK2A (0.36) KMT2ACA12MMP2CA14
SCHEMBL18848787 0.80 MEN1 (0.50) KMT2ADNM1FDPSMMP2
SCHEMBL18825533 0.80 FAAH (0.34) KMT2AALDH1A1CA12MMP2CA14
SCHEMBL22590166 0.79 CTSC (0.41) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL18825598 0.78 GAA (0.41) HDAC3KMT2AHDAC1HDAC2HDAC8
SCHEMBL5273087 0.75 CYP1A2 (0.41) CYP3A4CYP1A2KMT2ADNM1FOLH1
SCHEMBL3109246 0.73 LMNA (0.43) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL18825526 0.73 PLA2G2C (0.30) CA12MMP2CA14
SCHEMBL13295944 0.72 KMT2A (0.61) LMNABLMGABBR2CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017079260-A1 PHOSPHONATE-CHLOROQUINE CONJUGATES AND METHODS USING SAME UNIVERSITY OF ROCHESTER (US) 2017-05-11 WO disclosed
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