Cyclopentane

Cyclopentane

SCHEMBL11118549

C1CCCC1.CC(C)N1C(=O)CCSC1c1cccnc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.44
CYP3A4 P08684 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
THPO P40225 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GFER P55789 1/20 0.42
CYP2C9 P11712 1/20 0.41

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
SCHEMBL11059960 0.84 ALDH1A1 (0.60) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11063611 0.83 TDP1 (0.42) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11059892 0.78 ALDH1A1 (0.46) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11486443 0.76 TDP1 (0.47) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11058008 0.76 ALDH1A1 (0.47) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL26546833 0.75 KDM4E (0.68) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11059909 0.75 CYP3A4 (0.43) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11055888 0.74 ALDH1A1 (0.60) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11052996 0.72 ALDH1A1 (0.60) ALDH1A1TDP1MAPTCYP3A4KDM4E
SCHEMBL11060788 0.72 ALDH1A1 (0.51) ALDH1A1TDP1MAPTCYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010420-B1 PYRIDYL-SUBSTITUTED THIAZOLIDINE AND 1,3-THIAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AGRICULTURAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND METHODS FOR REGULATING PLANT GROWTH AND PROTECTING PLANTS FROM FUNGI ELI LILLY AND COMPANY (US) 1984-08-22 EP claimed
EP-0010420-A1 Pyridyl-substituted thiazolidine and 1,3-thiazine derivatives, processes for their preparation, agricultural compositions containing said derivatives and methods for regulating plant growth and protecting plants from fungi ELI LILLY AND COMPANY (US) 1980-04-30 EP claimed