SCHEMBL2569889

SCHEMBL2569889

O=C(OCc1ccccc1)OC1(NC(=O)c2ccc(Cl)s2)CCOC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
F10 P00742 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL2566643 0.83 SMN1; SMN2 (0.40) HPGDSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL3036022 0.82 F10 (0.36) HPGDF10SMN1; SMN2TSHRALDH1A1
SCHEMBL13012349 0.82 F10 (0.36) HPGDF10SMN1; SMN2TSHRALDH1A1
SCHEMBL13012340 0.74 TMIGD3 (0.35) HPGDF10SMN1; SMN2TSHRALDH1A1
SCHEMBL3774208 0.70 HPGD (0.42) HPGDSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL2566642 0.70 HPGD (0.42) HPGDSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL14477387 0.70 HPGD (0.42) HPGDSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL2569570 0.70 HTT (0.45) HPGDSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL2566574 0.69 KMT2A (0.44) ALDH1A1KMT2AMEN1NPSR1LMNA
SCHEMBL13012380 0.68 KMT2A (0.42) HPGDSMN1; SMN2TSHRALDH1A1KDM4E

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
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed