SCHEMBL7901133

SCHEMBL7901133

O=C(NCCCn1ccnc1)c1ccc(OCc2ccsc2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.47
QPCT Q16769 1/20 0.47
NAMPT P43490 2/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL7907517 0.85 GAA (0.48) SMN1; SMN2GAAALDH1A1MAPTTSHR
SCHEMBL14553828 0.81 ALDH1A1 (0.69) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL7910883 0.79 KDM4E (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7910790 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4E
SCHEMBL7910784 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4E
SCHEMBL8546202 0.77 MAPK1 (0.44) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL14552405 0.77 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8546206 0.77 KDM4E (0.43) MEN1KMT2AALDH1A1MAPK1TP53
SCHEMBL7901116 0.76 PARP15 (0.43) SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14552368 0.76 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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
US-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed