SCHEMBL31411889

SCHEMBL31411889

CC1(C)C(=O)N(CCc2ccccc2)c2cc(C#N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.50
PARK7 Q99497 2/20 0.44
ELANE P08246 1/20 0.41
MAPT P10636 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
KDM4E B2RXH2 3/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
BACE1 P56817 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TP53 P04637 3/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL31411522 0.81 TP53 (0.53) PGRPARK7ELANEMAPTTDP1
SCHEMBL9773598 0.80 ELANE (0.43) PGRELANE
SCHEMBL7376832 0.80 PARK7 (0.52) PGRPARK7ELANEMAPTGSK3A
SCHEMBL31411563 0.79 PARK7 (0.54) PGRPARK7ELANEMAPTMEN1
SCHEMBL9146512 0.76 CASP3 (0.46) PGRELANEBACE1MEN1KMT2A
SCHEMBL31411637 0.75 PGR (0.38) PGRMAPTMEN1
SCHEMBL31411777 0.74 ALDH1A1 (0.39) PGRMAPTKDM4EMEN1KMT2A
SCHEMBL31411795 0.74 CRHR1 (0.39) PGRBACE1
SCHEMBL10159046 0.71 ELANE (0.62) PARK7ELANEMAPTKDM4EGSK3A
SCHEMBL9199579 0.70 ELANE (0.43) PGRELANEKMT2AALDH1A1SMN1; 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
CN-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed