SCHEMBL21995703

SCHEMBL21995703

CC(=O)c1nc(CC(=O)O)ccc1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
G6PD P11413 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HCRTR2 O43614 8/20 0.36
HCRTR1 O43613 6/20 0.36
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MBOAT4 Q96T53 1/20 0.33

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
SCHEMBL21988725 0.80 LMNA (0.40) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL21989007 0.79 PTGDR (0.41) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL21988635 0.78 KMT2A (0.40) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL22045989 0.76 ALDH1A1 (0.41) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL21988705 0.76 KDM4E (0.38) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL21988951 0.74 MAPT (0.40) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL27928909 0.73 LMNA (0.46) LMNA
SCHEMBL21988904 0.73 HCRTR1 (0.44) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL21988657 0.72 HCRTR2 (0.37) LMNAKDM4EALDH1A1MEN1GAA
SCHEMBL262384 0.71 HCRTR2 (0.45) LMNAKDM4EALDH1A1MEN1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886984-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN Pfizer Inc. (US) 2021-10-06 EP disclosed
WO-2020109994-A1 PYRAZOLES AS MODULATORS OF HEMOGLOBIN PFIZER INC. (US) 2020-06-04 WO disclosed