SCHEMBL5879697

SCHEMBL5879697

O=C(O)NCc1nc2cccnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 3/20 0.42
GLA P06280 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
TSHR P16473 2/20 0.41
MAPK10 P53779 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NSD2 O96028 1/20 0.39
SLC40A1 Q9NP59 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ROCK1 Q13464 1/20 0.37

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
SCHEMBL13167384 0.87 HTT (0.48) SMN1; SMN2KMT2APOLBRAB9AMAPT
SCHEMBL4454372 0.81 TNKS (0.53) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL305355 0.78 POLB (0.64) SMN1; SMN2KMT2APOLBRAB9AMAPT
SCHEMBL6948812 0.78 PKM (0.58) SMN1; SMN2KMT2APOLBRAB9AMAPT
SCHEMBL4347806 0.77 RIPK1 (0.43) SMN1; SMN2KMT2ARAB9AMAPTLMNA
SCHEMBL5264712 0.77 ALDH1A1 (0.38) SMN1; SMN2POLBRAB9AMAPTLMNA
SCHEMBL23705616 0.77 SMN1; SMN2 (0.44) SMN1; SMN2KMT2APOLBRAB9AMAPT
SCHEMBL14616208 0.77 ALDH1A1 (0.44) SMN1; SMN2KMT2APOLBRAB9AMAPT
Hydrochloric Acid SCHEMBL27826900 0.77 POLB (0.63) SMN1; SMN2KMT2APOLBRAB9AMAPT
SCHEMBL7002587 0.77 GAA (0.42) SMN1; SMN2KMT2APOLBRAB9AMAPT

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