SCHEMBL9045360

SCHEMBL9045360

[CH2]CCC(=O)N1CCSC1=S

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.38
XDH P47989 1/20 0.38
LMNA P02545 1/20 0.32
POLB P06746 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 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
SCHEMBL9047742 0.88 KMT2A (0.43) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL8901236 0.87 KMT2A (0.42) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL10047902 0.82 MAPT (0.48) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL5915217 0.82 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL20438594 0.78 KMT2A (0.44) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL10038918 0.78 KMT2A (0.49) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL6043422 0.77 LMNA (0.34) MAPTLMNAPOLBL3MBTL1TP53
SCHEMBL12687063 0.77 KMT2A (0.42) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL8822085 0.77 NAAA (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL6684679 0.77 NAAA (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C19

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