SCHEMBL9529626

SCHEMBL9529626

Cc1cc(C(=O)NC(C#N)c2ccccc2)sn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.41
MME P08473 2/20 0.40
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HPGDS O60760 2/20 0.37
HDAC6 Q9UBN7 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CTSS P25774 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL9530946 0.81 MME (0.36) PDE2AMMEALDH1A1SMN1; SMN2
SCHEMBL7598651 0.74 TSHR (0.47) HDAC3HDAC4HDAC1HDAC6ALDH1A1
SCHEMBL10666410 0.73 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2CTSS
SCHEMBL9529998 0.73 MME (0.36) MME
SCHEMBL9848415 0.73 LMNA (0.53) HDAC1HPGDSALDH1A1LMNASMN1; SMN2
SCHEMBL7067325 0.72 ALDH1A1 (0.47) PDE2AALDH1A1LMNASMN1; SMN2CTSS
SCHEMBL14065364 0.71 ALDH1A1 (0.53) ALDH1A1CTSSAKR1C3AKR1C1
SCHEMBL15716728 0.68 CTSS (0.51) ALDH1A1SMN1; SMN2CTSSAKR1C3AKR1C1
SCHEMBL10705514 0.68 CTSS (0.50) ALDH1A1SMN1; SMN2CTSS
SCHEMBL11639107 0.68 TSHR (0.44) PDE2AHDAC3HDAC4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313091-B1 AMIDE DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF, AND AGRICULTURAL-HORTICULTURAL FUNGICIDE CONTAINING THEM MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-09-01 EP disclosed
CN-1066363-A MICROBICIDES COMPOSITION FOR AGRICULTURE-HORTICULTURE MITSUI TOATSU CHEMICALS (JP) 1992-11-25 CN disclosed
CN-1018828-B Process for preparing thiazole or isothiazole amide derivatives MITSUI TOATSU CHEMICALS (JP) 1992-10-28 CN disclosed
US-5104886-A Syntergistic mixtures of amide substituted thiazoles and other fungicides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-14 US disclosed
US-4980363-A CONTROLLING PLANT DISEASES MITSUI TOATSU CHEMICALS, INC. (JP) 1990-12-25 US disclosed
CN-1035826-A Novel amide derivative and agricultural-horticultural fungicide containing the same MITSUI TOATSU CHEMICALS (JP) 1989-09-27 CN disclosed
EP-0313091-A2 Amide derivatives, processes for production thereof, and agricultural-horticultural fungicide containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-04-26 EP disclosed