SCHEMBL31411798

SCHEMBL31411798

CC1(C)C(=O)N(Cc2ccccc2)c2cc(C#N)sc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.52
PGR P06401 1/20 0.42
CTSG P08311 2/20 0.41
PRTN3 P24158 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 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
SCHEMBL31411825 0.84 ELANE (0.34) ELANEPGRALDH1A1MEN1KMT2A
SCHEMBL31411723 0.83 PTGDR2 (0.34) ELANEPGR
SCHEMBL31411834 0.79 ELANE (0.54) ELANECTSGPRTN3TDP1NPSR1
SCHEMBL6996186 0.70 GSK3B (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL3147117 0.69 ELANE (0.69) ELANECTSGPRTN3TDP1NPSR1
SCHEMBL30881990 0.69 ELANE (0.69) ELANECTSGPRTN3TDP1NPSR1
SCHEMBL5179538 0.67 ELANE (0.59) ELANEPGRCTSGPRTN3TDP1
SCHEMBL16315749 0.67 ELANE (0.59) ELANECTSGPRTN3TDP1NPSR1
SCHEMBL13233765 0.66 ELANE (0.58) ELANEPGRCTSGPRTN3TDP1
SCHEMBL31411532 0.66 ELANE (0.58) ELANEPGRCTSGPRTN3TDP1

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