SCHEMBL9012870

SCHEMBL9012870

CN(C)Cc1cc(=O)c(OCc2ccccc2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MCHR1 Q99705 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
EGFR P00533 1/20 0.39
HTR1D P28221 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL9012871 0.87 HTR2A (0.52) HTR2APOLBLMNAMCHR1MEN1
SCHEMBL9012908 0.82 L3MBTL1 (0.43) POLBLMNAL3MBTL1NSD2ABL1
SCHEMBL9653085 0.82 LOXL2 (0.48) POLBLMNAL3MBTL1NSD2ABL1
SCHEMBL71120 0.82 GSTP1 (0.44) POLBLMNAL3MBTL1NSD2ABL1
SCHEMBL13462058 0.81 LMNA (0.50) POLBLMNAL3MBTL1NSD2ABL1
Hydrochloric Acid SCHEMBL10894906 0.81 L3MBTL1 (0.42) POLBLMNAL3MBTL1NSD2ABL1
SCHEMBL2116326 0.80 L3MBTL1 (0.54) POLBLMNAL3MBTL1NSD2ABL1
SCHEMBL4145610 0.79 ALDH1A1 (0.53) L3MBTL1MAPTTDP1CYP2C9CYP2C19
SCHEMBL10672044 0.78 GSTP1 (0.41) POLBLMNAL3MBTL1NSD2ABL1
SCHEMBL71232 0.76 ELANE (0.39) POLBLMNAL3MBTL1NSD2ABL1

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
EP-0345671-B1 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1996-08-21 EP disclosed
US-5532354-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5401734-A MICROBIOCIDES FUJISAWA PHAMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
US-5244890-A Treatment of infectious diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0345671-A2 Cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-13 EP disclosed