SCHEMBL8645239

SCHEMBL8645239

Cn1c(=O)c2ncn(Cc3ccc(C(=O)c4ccc(Cl)cc4Cl)cc3)c2n(C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 5/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.43
UBE2N P61088 2/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRD5A2 P31213 1/20 0.42
P2RX7 Q99572 2/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL8642267 0.88 LMNA (0.55) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL8649791 0.88 LMNA (0.50) LMNAMAPK1HTTMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8648397 0.87 LMNA (0.54) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL7010532 0.84 LMNA (0.69) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL8645180 0.82 HTT (0.49) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL8643199 0.82 LMNA (0.55) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL8649860 0.82 LMNA (0.55) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL8645114 0.81 LMNA (0.54) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL8643383 0.81 LMNA (0.54) LMNAMAPK1HTTMAPTSMN1; SMN2
SCHEMBL8644499 0.81 LMNA (0.51) LMNAMAPK1HTTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed