SCHEMBL7147373

SCHEMBL7147373

Cc1nc(-c2ccc(CC(N)=O)cc2)sc1NC1CCCC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.39
MAPK9 P45984 5/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PI4KB Q9UBF8 3/20 0.37
TP53 P04637 1/20 0.37
FFAR1 O14842 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
SCHEMBL4247482 0.82 SULT1A1 (0.42) MEN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4246679 0.75 PDE7A (0.44) PDE4DPDE7API4KB
SCHEMBL6454854 0.70 NPC1 (0.48) MEN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4250476 0.70 PDE7A (0.50) MEN1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6464643 0.66 RAB9A (0.52) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL4252175 0.62 PDE7A (0.52) LMNACYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL14736582 0.61 ALDH1A1 (0.50) MEN1ALDH1A1LMNAMAPTHTT
SCHEMBL849073 0.61 MAPK8 (0.49) MAPK8MAPK9JAK1JAK3
SCHEMBL19307821 0.60 CA2 (0.70) KMT2A
SCHEMBL21162215 0.60 MAPK8 (0.79) MAPK8MAPK9

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
EP-1348701-A1 (2,4-disubstituted-thiazol-5-yl) amine compounds as PDE7 inhibitors Warner-Lambert Company LLC (US) 2003-10-01 EP disclosed