SCHEMBL20116745

SCHEMBL20116745

N=Cc1ccc(-c2noc(C3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1NC1COC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.51
HTT P42858 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
DGAT1 O75907 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMO Q99835 5/20 0.43
GRM5 P41594 1/20 0.42
MAPT P10636 1/20 0.42
ERG P11308 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41

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
SCHEMBL20116751 0.90 LMNA (0.53) HSD11B1HTTALDH1A1TSHRLMNA
SCHEMBL20117293 0.86 HSD11B1 (0.45) HSD11B1SMN1; SMN2SMO
SCHEMBL20676529 0.83 SMO (0.39) HTTTSHRDGAT1LMNASMO
SCHEMBL20116823 0.83 SMN1; SMN2 (0.46) HTTALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL20116843 0.82 LMNA (0.46) HTTTSHRLMNASMN1; SMN2NPSR1
SCHEMBL20116723 0.81 LMNA (0.42) TSHRLMNASMOTUBB4ATUBB
SCHEMBL20676430 0.80 LMNA (0.41) HTTTSHRLMNASMN1; SMN2SMO
SCHEMBL20116742 0.78 HSD11B1 (0.54) HSD11B1HTTALDH1A1TSHRLMNA
SCHEMBL20116753 0.78 GRM5 (0.54) HSD11B1HTTALDH1A1TSHRLMNA
SCHEMBL20117211 0.77 KIT (0.36) GRM5

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