SCHEMBL9735484

SCHEMBL9735484

CC(CO)Oc1cc(N)c(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
MAOA P21397 3/20 0.40
GAA P10253 3/20 0.38
CSNK2A1 P68400 2/20 0.36
BRAF P15056 1/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
HTR3A P46098 2/20 0.33
HTR4 Q13639 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32

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
SCHEMBL10535978 0.85 TSHR (0.42) GAACSNK2A1BRAFTSHRSMN1; SMN2
SCHEMBL9734857 0.85 EGFR (0.36) NPC1GAACSNK2A1BRAFLMNA
SCHEMBL30902518 0.84 NPC1 (0.53) NPC1MAOAGAACSNK2A1TSHR
SCHEMBL3277991 0.80 NPC1 (0.61) NPC1MAOAGAACSNK2A1TSHR
SCHEMBL2229584 0.78 GAA (0.40) GAACSNK2A1BRAFTSHRCYP3A4
SCHEMBL12519586 0.78 GAA (0.40) GAACSNK2A1BRAFTSHRCYP3A4
SCHEMBL12519780 0.78 GAA (0.40) GAACSNK2A1BRAFTSHRCYP3A4
SCHEMBL10424474 0.74 SLC2A1 (0.41) NPC1MAOAGAACSNK2A1TSHR
SCHEMBL9642579 0.74 SMN1; SMN2 (0.54) GAATSHRCYP1A2CYP2D6CYP3A4
SCHEMBL9769730 0.72 NPC1 (0.52) NPC1MAOAGAACSNK2A1TDP1

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-5169428-A Tetrahydrophthalimide derivative and herbicide composition containing same TOSOH CORPORATION (JP) 1992-12-08 US disclosed
EP-0323271-A1 Tetrahydrophthalimide derivative and herbicide composition containing the same Tosoh Corporation (JP) 1989-07-05 EP disclosed