SCHEMBL10696541

SCHEMBL10696541

O=C(Cn1ccccc1=S)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 3/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KIF11 P52732 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP3 P08254 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
SCHEMBL9813287 0.84 TSHR (0.44) CRHBPCRHR2ESR1ESR2ALDH1A1
SCHEMBL9224894 0.78 CRHBP (0.43) CRHBPCRHR2ESR1ESR2ALDH1A1
SCHEMBL9523478 0.76 KDM4E (0.47) KDM4EMEN1KMT2ACYP2C19
SCHEMBL10815571 0.76 KMT2A (0.51) ESR1ALDH1A1KDM4ELMNAMEN1
SCHEMBL9227528 0.73 CRHBP (0.44) CRHBPCRHR2ESR1ESR2ALDH1A1
SCHEMBL10626256 0.72 CRHBP (0.39) CRHBPCRHR2ESR1ESR2ALDH1A1
SCHEMBL9875296 0.71 CRHBP (0.60) CRHBPCRHR2ESR1ESR2ALDH1A1
SCHEMBL32684616 0.71 CRHBP (0.56) CRHBPCRHR2ESR1ESR2ALDH1A1
SCHEMBL10813398 0.71 ESR1 (0.42) ESR1ALDH1A1KDM4ELMNAHPGD
SCHEMBL7019908 0.70 CRHBP (0.58) CRHBPCRHR2ESR1ESR2ALDH1A1

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
US-4785090-A ANTIBIOTICS, BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1988-11-15 US disclosed
EP-0153709-A2 Novel cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1985-09-04 EP disclosed