SCHEMBL8575545

SCHEMBL8575545

CNC(=N)c1ccc(N2C(=O)NCC2c2ccccc2CCC(=O)OC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F2 P00734 1/20 0.31
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
CACNA1G O43497 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL8573544 0.90 P2RX3 (0.35) P2RX3LMNAMAPTTP53MEN1
SCHEMBL8575389 0.78 GAA (0.35) TDP1ALDH1A1GAAKDM4EHPGD
SCHEMBL8577361 0.77 CYP4F2 (0.37) LMNAALDH1A1GAAL3MBTL1HPGD
SCHEMBL8575775 0.74 PPARD (0.40) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL8575282 0.71 TDP1 (0.36) TDP1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8576047 0.68 HRH3 (0.38)
SCHEMBL8414875 0.68 ELANE (0.33)
SCHEMBL8572785 0.68 NSD2 (0.37) LMNAGAASMN1; SMN2TSHRRAB9A
SCHEMBL8571911 0.67 CA9 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL7283797 0.67 HDAC1 (0.43) MAPT

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-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed