SCHEMBL21394893

SCHEMBL21394893

CCS/C(=N\F)NC(=O)c1ccc(=O)n(CC)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PAX8 Q06710 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21394895 0.89 LMNA (0.37) LMNASAE1UBA2USP2THRB
SCHEMBL21395004 0.86 ALDH1A1 (0.45) LMNASAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL21395273 0.74 LMNA (0.47) LMNASAE1UBA2USP2THRB
SCHEMBL22479641 0.74 LMNA (0.50) LMNASAE1UBA2USP2THRB
SCHEMBL21384024 0.71 MARS1 (0.43) LMNASAE1UBA2USP2THRB
SCHEMBL21383951 0.69 PTGER4 (0.43) LMNASAE1UBA2USP2THRB
SCHEMBL21395278 0.65 RAB9A (0.41) ALDH1A1RAB9A
SCHEMBL29353756 0.62 SMN1; SMN2 (0.41) LMNASAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL29358443 0.62 RAB9A (0.46) LMNASAE1UBA2ALDH1A1SMN1; SMN2
SCHEMBL21383972 0.62 PTGS2 (0.44) LMNASAE1UBA2USP2THRB

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
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed