SCHEMBL20117293

SCHEMBL20117293

N=Cc1ccc(-c2nc(C3CCN(C(=O)c4ccccc4Cl)CC3)no2)cc1NC1COC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
MGLL Q99685 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KIT P10721 1/20 0.38
RAB9A P51151 1/20 0.37
DCTPP1 Q9H773 1/20 0.37
EPHX2 P34913 1/20 0.37
SMO Q99835 1/20 0.36
PAK1 Q13153 1/20 0.36

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
SCHEMBL20676512 0.91 SMN1; SMN2 (0.42) HSD11B1SMN1; SMN2UBE2MDCUN1D1MGLL
SCHEMBL20116841 0.89 MGLL (0.47) HSD11B1SMN1; SMN2MGLLKITSMO
SCHEMBL20116745 0.86 HSD11B1 (0.51) HSD11B1SMN1; SMN2SMO
SCHEMBL20116228 0.77 HSD11B1 (0.47) HSD11B1SMN1; SMN2TP53UBE2MDCUN1D1
SCHEMBL20116775 0.76 SMN1; SMN2 (0.41) HSD11B1SMN1; SMN2KIT
SCHEMBL20116751 0.75 LMNA (0.53) HSD11B1SMN1; SMN2MGLLEPHX2SMO
SCHEMBL20676598 0.74 SMN1; SMN2 (0.43) HSD11B1SMN1; SMN2UBE2MDCUN1D1EPHX2
SCHEMBL20116785 0.73 KIT (0.42) SMN1; SMN2MGLLKITEPHX2SMO
SCHEMBL22358562 0.71 HSD11B1 (0.49) HSD11B1SMN1; SMN2TP53UBE2MDCUN1D1
SCHEMBL20676489 0.69 TBK1 (0.48) SMN1; SMN2KITRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed