SCHEMBL9813246

SCHEMBL9813246

NOC[C@@H](N)C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.61
PKM P14618 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
SLC1A5 Q15758 1/20 0.39
IDO1 P14902 3/20 0.39
TDO2 P48775 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.37

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
Hydrochloric Acid SCHEMBL9813243 0.98 KIF11 (0.59) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL11058196 0.84 KIF11 (0.55) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL11194800 0.83 KIF11 (0.64) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL11194798 0.83 KIF11 (0.64) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL11077265 0.83 KIF11 (0.60) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL27546317 0.81 KIF11 (0.58) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL27591055 0.81 KIF11 (0.58) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL27591052 0.81 KIF11 (0.58) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL9717076 0.81 KIF11 (0.58) KIF11PKMCYP1A2CYP2D6SMN1; SMN2
SCHEMBL11512005 0.80 ALPI (0.58) KIF11PKMCRHBPCRHR2ALPI

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-0153709-B1 NOVEL CEPHALOSPORIN DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 1991-08-14 EP disclosed
US-4785090-A ANTIBIOTICS, BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1988-11-15 US disclosed