SCHEMBL22479641

SCHEMBL22479641

CCn1nc(C(=O)NCl)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
USP2 O75604 1/20 0.46
THRB P10828 1/20 0.46
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
PAX8 Q06710 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL21395273 0.84 LMNA (0.47) LMNASAE1UBA2USP2THRB
SCHEMBL21384024 0.81 MARS1 (0.43) LMNASAE1UBA2USP2THRB
SCHEMBL21383951 0.79 PTGER4 (0.43) LMNASAE1UBA2USP2THRB
SCHEMBL21394893 0.74 LMNA (0.39) LMNASAE1UBA2USP2THRB
SCHEMBL21383972 0.70 PTGS2 (0.44) LMNASAE1UBA2USP2THRB
SCHEMBL12877231 0.70 TSHR (0.37) ALDH1A1SMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL8149332 0.70 MAPT (0.36) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL29359042 0.69 SMN1; SMN2 (0.45) LMNASAE1UBA2USP2THRB
SCHEMBL29353756 0.68 SMN1; SMN2 (0.41) LMNASAE1UBA2AURKARPS6KB1
SCHEMBL29358443 0.68 RAB9A (0.46) LMNASAE1UBA2ALDH1A1SMN1; SMN2

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-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed