SCHEMBL9877944

SCHEMBL9877944

CCOC(=O)C1SCSCC1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR4 O00206 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9510438 0.76 KDM4E (0.39) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL7782098 0.73 CYP2D6 (0.38) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL31517932 0.73 CYP2D6 (0.38) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL172419 0.72 ALDH1A1 (0.45) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL9793537 0.70 ALDH1A1 (0.46) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL1871886 0.69 PPM1B (0.36) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL11215812 0.69 ALDH1A1 (0.41) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL7034548 0.68 KDM4E (0.38) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL11822502 0.68 ALDH1A1 (0.40) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL11790471 0.68 ALDH1A1 (0.41) KDM4EALDH1A1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994464-A Treatment of elevated intraocular pressure and glaucoma MERCK & CO., INC. (US) 1991-02-19 US disclosed
US-4889856-A INTRAOCULAR PRESSURE REDUCTION; CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1989-12-26 US disclosed
US-4814325-A INSECTICIDES, NEMATOCIDES, ACARICIDES FMC CORPORATION (US) 1989-03-21 US disclosed
EP-0020173-B1 IMIDAZOLE GUANIDINES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-02-09 EP disclosed
EP-0020173-A1 Imidazole guanidines, their preparation and compositions containing them MERCK & CO. INC. (US) 1980-12-10 EP disclosed
US-4220654-A Cyclic imidazole cyanoguanidines MERCK & CO., INC. (US) 1980-09-02 US disclosed