SCHEMBL28610882

SCHEMBL28610882

COc1ccc(CC2(CO)CCN(c3cn[c]c(Cl)n3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 4/20 0.53
GAA P10253 5/20 0.51
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 4/20 0.49
RET P07949 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20205987 0.73 ALDH1A1 (0.69) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL20069530 0.73 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL20147405 0.71 MEN1 (0.71) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL28620623 0.70 PTPN11 (0.50) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL15548628 0.64 GAA (1.00) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL17760993 0.63 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL19832548 0.60 SIGMAR1 (0.61) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL3023133 0.59 MAPT (0.58) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL29002710 0.58 SMN1; SMN2 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL3028058 0.58 MAPT (0.60) ALDH1A1KDM4EMEN1KMT2ARAB9A

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
CN-109475531-B Heterocyclic inhibitors of PTPN11 得克萨斯州立大学董事会 2021-08-17 CN disclosed