SCHEMBL5879700

SCHEMBL5879700

CN(C(=O)O)c1nc2cccnc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DAO P14920 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.35
RIPK1 Q13546 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAP2K1 Q02750 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
PLK1 P53350 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL17967930 0.81 HSD17B10 (0.47) LMNAL3MBTL1KDM4ENPC1RAB9A
SCHEMBL4454368 0.80 L3MBTL1 (0.41) LMNAL3MBTL1RAB9AELANEKMT2A
SCHEMBL251109 0.76 LMNA (0.53) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11001631 0.73 PARP1 (0.36) DAOKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL523396 0.72 PIN1 (0.42) LMNAL3MBTL1DAOKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL2816871 0.71 PIN1 (0.41) LMNAL3MBTL1DAOKDM4ESMN1; SMN2
SCHEMBL3368051 0.69 MAP2K1 (0.48) LMNAL3MBTL1KDM4ENPC1RAB9A
SCHEMBL5315369 0.69 DAO (0.37) LMNADAOKDM4ENPC1RAB9A
SCHEMBL11766590 0.68 MAP2K1 (0.44) LMNAKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL11768642 0.68 KMT2A (0.46) LMNAL3MBTL1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 WO disclosed