SCHEMBL20117283

SCHEMBL20117283

CC(C)N(C)c1cc(-c2noc(C3CCN(C=O)CC3)n2)ccc1CC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.43
LMNA P02545 6/20 0.43
TSHR P16473 3/20 0.43
HTT P42858 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 4/20 0.41
NPY2R P49146 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRB2 P07550 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.39
TUBB4A P04350 1/20 0.38

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
SCHEMBL20116852 0.86 SMN1; SMN2 (0.48) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20676469 0.84 HSD11B1 (0.49) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL20116730 0.84 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRHTTALDH1A1
SCHEMBL20116824 0.83 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRHTTGAA
SCHEMBL20116634 0.73 TSHR (0.58) SMN1; SMN2LMNATSHRHTTNPC1
SCHEMBL21611298 0.73 LMNA (0.47) SMN1; SMN2LMNATSHRHTTNPC1
SCHEMBL20116857 0.73 HTT (0.42) SMN1; SMN2LMNATSHRHTTNPC1
SCHEMBL20116798 0.72 KIT (0.42) SMN1; SMN2LMNATSHRHTTNPC1
SCHEMBL20116749 0.72 NR1H4 (0.45) SMN1; SMN2LMNATSHRHTTNPC1
SCHEMBL20116815 0.71 CNR2 (0.47) SMN1; SMN2LMNATSHRHTTNPC1

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