SCHEMBL8628282

SCHEMBL8628282

CCOC(=O)C(=NOCc1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 7/20 0.52
MAPT P10636 7/20 0.52
GAA P10253 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
RECQL P46063 1/20 0.52
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPK1 P28482 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8843966 0.93 MEN1 (0.47) KMT2AMEN1MAPTGAATDP1
SCHEMBL8843968 0.93 MEN1 (0.47) KMT2AMEN1MAPTGAATDP1
SCHEMBL9345522 0.92 KMT2A (0.55) KMT2AMEN1MAPTGAATDP1
SCHEMBL9345517 0.92 KMT2A (0.55) KMT2AMEN1MAPTGAATDP1
SCHEMBL11132942 0.89 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL11139117 0.89 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL9871195 0.89 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL9871186 0.89 KMT2A (0.52) KMT2AMEN1MAPTGAATDP1
SCHEMBL11087499 0.89 KMT2A (0.54) KMT2AMEN1MAPTGAATDP1
SCHEMBL11087495 0.89 KMT2A (0.54) KMT2AMEN1MAPTGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed