SCHEMBL21785002

SCHEMBL21785002

O=C(O)C(c1ccccc1C1CC1)N1CCC(SI)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
NOTUM Q6P988 1/20 0.32
RBP4 P02753 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC6A9 P48067 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL21784698 0.79 LMNA (0.55) LMNAGAARBP4KDM4EALDH1A1
SCHEMBL7798825 0.70 CYP3A4 (0.53) LMNAGAAKDM4EALDH1A1KMT2A
SCHEMBL28068538 0.65 PTGDR2 (0.36) NOTUMRBP4MEN1KMT2APTGDR2
SCHEMBL21784784 0.65 MMP2 (0.42) LMNAKDM4EALDH1A1PTGDR2ADRA2A
SCHEMBL12137589 0.65 LMNA (0.58) LMNAGAAKDM4EALDH1A1MEN1
SCHEMBL627928 0.65 LMNA (0.58) LMNAGAAKDM4EALDH1A1MEN1
SCHEMBL622694 0.65 LMNA (0.58) LMNAGAAKDM4EALDH1A1MEN1
SCHEMBL3728983 0.65 LMNA (0.58) LMNAGAAKDM4EALDH1A1MEN1
SCHEMBL21780647 0.62 LMNA (0.43) LMNAGAARBP4KDM4E
SCHEMBL4680009 0.62 MEN1 (0.46) RBP4KDM4EALDH1A1MEN1KMT2A

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-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed