SCHEMBL23051938

SCHEMBL23051938

CCOC(=O)CNC(=O)c1cc(-c2cccc(-c3ncc(C(=O)NC(CC)CC)o3)c2)[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 9/20 0.38
MMEL1 Q495T6 1/20 0.35
PRKD1 Q15139 4/20 0.35
ALPP P05187 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PPID Q08752 1/20 0.34

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
SCHEMBL23052208 0.93 MME (0.39) MMEMMEL1PRKD1ALPPTAS1R3
SCHEMBL23052249 0.90 MMP13 (0.36) MMEPRKD1ALPPALDH1A1MAPT
SCHEMBL23052178 0.89 GAA (0.39) MMEMAPTGAA
SCHEMBL23042188 0.88 PRKD1 (0.36) MMEMMEL1PRKD1ALPP
SCHEMBL23051928 0.88 MME (0.40) MMEMMEL1PRKD1ALPP
SCHEMBL29707769 0.88 MME (0.40) MMEMMEL1PRKD1ALPP
SCHEMBL23051931 0.88 MME (0.40) MMEMMEL1PRKD1ALPP
SCHEMBL23041487 0.86 MME (0.44) MMEMMEL1PRKD1SMN1; SMN2TAS1R3
SCHEMBL23041640 0.86 MME (0.45) MMEMMEL1ALPP
SCHEMBL29452352 0.86 MME (0.44) MMEMMEL1PRKD1SMN1; SMN2TAS1R3

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
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 WO disclosed