SCHEMBL20116775

SCHEMBL20116775

CC(C)Nc1cc(-c2nc(C3CCN(C(=O)c4ncccc4Cl)CC3)no2)ccc1C=N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 2/20 0.41
KIT P10721 2/20 0.39
TBK1 Q9UHD2 4/20 0.37
CNR1 P21554 2/20 0.36
USP30 Q70CQ3 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
USP7 Q93009 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL20116785 0.87 KIT (0.42) SMN1; SMN2KITUSP30USP7CPT1A
SCHEMBL20116791 0.87 SMO (0.43) SMN1; SMN2HSD11B1
SCHEMBL20676436 0.79 USP7 (0.41) SMN1; SMN2KITUSP30USP7CPT1A
SCHEMBL20116816 0.79 TBK1 (0.39) SMN1; SMN2KITTBK1USP7CPT1A
SCHEMBL20117204 0.79 TBK1 (0.38) SMN1; SMN2KITTBK1USP30USP7
SCHEMBL20116225 0.79 SMN1; SMN2 (0.41) SMN1; SMN2HSD11B1KITCNR1USP30
SCHEMBL20116683 0.78 USP30 (0.40) SMN1; SMN2HSD11B1KITTBK1USP30
SCHEMBL20116814 0.78 USP30 (0.53) KITTBK1USP30CPT1A
SCHEMBL20117293 0.76 HSD11B1 (0.45) SMN1; SMN2HSD11B1KIT
SCHEMBL20116230 0.75 SMN1; SMN2 (0.39) SMN1; SMN2HSD11B1KITTBK1CNR1

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