SCHEMBL9047742

SCHEMBL9047742

[CH2]CCCCC(=O)N1CCSC1=S

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.35
XDH P47989 1/20 0.35
NAAA Q02083 2/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8901236 0.98 KMT2A (0.42) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL21743123 0.90 KMT2A (0.47) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL9045360 0.88 MAPT (0.46) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL8822085 0.83 NAAA (0.51) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL6684679 0.83 NAAA (0.51) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL12687063 0.83 KMT2A (0.42) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL5915217 0.78 MAPT (0.46) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10047902 0.78 MAPT (0.48) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL15251093 0.78 KMT2A (0.40) KMT2AMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL21743130 0.77 MAPT (0.46) KMT2AMAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448726-B1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-04-24 EP disclosed
US-5338844-A 2-substituted-2-cyclopentenone compound and anticancer agent and bone formation accelerator comprising same as active ingredient TEIJIN LIMITED (JP) 1994-08-16 US disclosed
US-5216183-A Antitumor, anticarcinogenic agents; bone formation accelerators TEIJIN LIMITED (JP) 1993-06-01 US disclosed
EP-0448726-A1 2-SUBSTITUTED 2-CYCLOPENTENONE AND CARCINOSTATIC AGENT AND OSTEOGENESIS PROMOTER CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1991-10-02 EP disclosed