SCHEMBL24112883

SCHEMBL24112883

CNC(=O)c1ncc(Cl)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDK2 Q15119 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
SCHEMBL24019838 0.81 ALOX15 (0.41) ALOX15MAPTCYP1A2
SCHEMBL18236168 0.81 MAPT (0.36) ALOX15MAPTKDM4ENPC1RAB9A
SCHEMBL25768609 0.80 ALOX15 (0.40) ALOX15LMNANUDT1
SCHEMBL18415311 0.78 NTRK1 (0.38) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL23849220 0.77 MAPK1 (0.38) ALOX15MAPTKDM4EALDH1A1LMNA
SCHEMBL5651735 0.75
SCHEMBL24112533 0.73 ALDH1A1 (0.45) ALOX15MAPTKDM4ENPC1ALDH1A1
SCHEMBL1440454 0.70 PTPN11 (0.38) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL30881439 0.70 BAZ2B (0.33) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL1507062 0.67 MAOB (0.57) NPC1RAB9ATP53TSHRPTK2

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-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed